UCSF

ZINC40173997

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 23 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) 3.22 6.47 -47.23 5 4 1 73 349.241 4
Hi High (pH 8-9.5) 3.22 6.15 -8.69 4 4 0 71 348.233 4

Activity (Go SEA)

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