UCSF

ZINC40430498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 31 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) 4.89 13.24 -54.72 1 5 1 56 425.593 12
Hi High (pH 8-9.5) 4.89 10.93 -12.43 0 5 0 55 424.585 12

Activity (Go SEA)

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