UCSF

ZINC45657158

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.38 6.74 -36.13 2 3 1 26 263.405 7
Mid Mid (pH 6-8) 2.38 5.57 -41.96 2 3 1 29 263.405 7
Lo Low (pH 4.5-6) 2.38 7.9 -118.44 3 3 2 30 264.413 7

Activity (Go SEA)

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