UCSF

ZINC42459156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.72 4.31 -6.33 2 4 0 51 231.299 4
Mid Mid (pH 6-8) 1.72 4.8 -28.31 3 4 1 53 232.307 4

Activity (Go SEA)

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