UCSF

ZINC37106533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.58 9.35 -46.08 2 3 1 34 262.421 3
Mid Mid (pH 6-8) 3.58 9.86 -98.87 3 3 2 36 263.429 3

Activity (Go SEA)

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