UCSF

ZINC37801395

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.85 6.08 -44.08 3 4 1 57 311.471 7
Mid Mid (pH 6-8) 1.85 5.71 -5.76 2 4 0 56 310.463 7

Activity (Go SEA)

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