UCSF

ZINC20078764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.91 7.01 -26.94 2 3 1 32 260.405 5
Mid Mid (pH 6-8) 1.91 9.08 -90.85 3 3 2 33 261.413 5
Mid Mid (pH 6-8) 1.91 9.15 -37.3 2 3 1 32 260.405 5

Activity (Go SEA)

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