UCSF

ZINC40421176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 20 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) 2.62 8.54 -85.7 3 3 2 34 291.464 8
Hi High (pH 8-9.5) 2.62 7.18 -34.42 2 3 1 29 290.456 8

Activity (Go SEA)

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