UCSF

ZINC37140409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 1.38 1.93 -41.51 4 4 1 63 242.387 7
Mid Mid (pH 6-8) 1.38 4.12 -107.08 5 4 2 64 243.395 7

Activity (Go SEA)

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