UCSF

ZINC44517066

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 1.18 4.89 -41.3 4 5 1 60 252.386 4
Mid Mid (pH 6-8) 1.18 5.01 -75.26 5 5 2 62 253.394 4

Activity (Go SEA)

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