UCSF

ZINC41681908

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 1.64 1.37 -57.11 3 5 1 74 305.445 3
Hi High (pH 8-9.5) 1.64 0.97 -8.62 2 5 0 73 304.437 3

Activity (Go SEA)

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