UCSF

ZINC42779934

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 4.31 7.05 -2.92 0 1 0 3 310.157 6
Mid Mid (pH 6-8) 4.31 9.43 -35.63 1 1 1 4 311.165 6

Activity (Go SEA)

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