UCSF

ZINC19834153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) 1.96 5.81 -6.67 0 2 0 27 253.143 4
Mid Mid (pH 6-8) 1.96 8.27 -44.59 1 2 1 28 254.151 4

Activity (Go SEA)

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