UCSF

ZINC44710153

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 3.97 11.2 -85.66 4 6 2 76 439.629 8
Hi High (pH 8-9.5) 3.97 10.38 -68.8 2 6 0 73 437.613 8

Activity (Go SEA)

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