UCSF

ZINC35017726

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 Yes

Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-10,10-dimethyl-6,7,8,9-tetrahydropyrimido[1 (2Z)-2-[[(4-fluorophenyl)methyla…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 6.16 -81.42 3 7 0 104 360.389 3 ↓
Mid Mid (pH 6-8) 1.25 5.21 -57.45 4 7 1 101 361.397 3 ↓
Mid Mid (pH 6-8) 1.25 4.14 -12.58 3 7 0 96 360.389 3 ↓
Mid Mid (pH 6-8) 1.25 5.1 -60.07 2 7 -1 99 359.381 3 ↓
Lo Low (pH 4.5-6) 1.32 3.95 -104.53 5 7 2 106 362.405 3 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.