UCSF

ZINC37044554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.87 3.1 -51.77 4 5 1 83 273.259 5
Hi High (pH 8-9.5) 0.87 2.81 -8.79 3 5 0 81 272.251 5

Activity (Go SEA)

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