UCSF

ZINC42579635

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 2.98 8.66 -112.72 4 3 2 45 280.456 7
Mid Mid (pH 6-8) 2.98 8.76 -25.16 3 3 1 44 279.448 7

Activity (Go SEA)

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