UCSF

ZINC42456603

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 3.79 7.26 -116.8 4 2 2 32 242.451 5
Mid Mid (pH 6-8) 3.79 6.82 -43.4 3 2 1 31 241.443 5

Activity (Go SEA)

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