UCSF

ZINC45704320

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 Yes

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) 1.29 2.54 -35.68 3 4 1 49 247.403 10
Mid Mid (pH 6-8) 1.29 2.93 -30.84 3 4 1 46 247.403 10
Lo Low (pH 4.5-6) 1.29 4.24 -110.69 4 4 2 51 248.411 10

Activity (Go SEA)

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