UCSF

ZINC42593938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 2.07 4.61 -45.35 4 3 1 53 245.346 6
Mid Mid (pH 6-8) 2.07 5.79 -92.04 5 3 2 57 246.354 6

Activity (Go SEA)

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