UCSF

ZINC40290475

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 16 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) 1.43 4.72 -25.31 3 4 1 56 221.328 4
Hi High (pH 8-9.5) 1.43 4.61 -7.72 2 4 0 55 220.32 4
Mid Mid (pH 6-8) 1.43 4.75 -22.29 3 4 1 56 221.328 4
Mid Mid (pH 6-8) 1.43 5.15 -102.79 4 4 2 58 222.336 4
Lo Low (pH 4.5-6) 1.43 5.09 -102.98 4 4 2 58 222.336 4

Activity (Go SEA)

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