UCSF

ZINC37332360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 13 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) 0.30 3.97 -35.41 1 3 1 25 183.275 1
Mid Mid (pH 6-8) 0.30 3.8 -32.96 1 3 1 25 183.275 1
Mid Mid (pH 6-8) 0.30 1.6 -5.15 0 3 0 24 182.267 1

Activity (Go SEA)

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