UCSF

ZINC42477729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 3.73 10.48 -33.9 1 3 1 28 332.221 4
Mid Mid (pH 6-8) 3.73 10.01 -8.33 0 3 0 27 331.213 4

Activity (Go SEA)

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