UCSF

ZINC37351844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 4.62 9.02 -27.72 3 3 1 45 311.236 2
Mid Mid (pH 6-8) 4.62 8.9 -5.81 2 3 0 44 310.228 2

Activity (Go SEA)

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