UCSF

ZINC34527168

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 2.73 9.73 -47.78 3 7 1 83 322.396 3
Hi High (pH 8-9.5) 2.73 8.44 -7.38 2 7 0 79 321.388 3

Activity (Go SEA)

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