UCSF

ZINC52290539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 12 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) 1.41 5.18 -5.06 1 3 0 38 163.224 2
Mid Mid (pH 6-8) 1.41 5.61 -29.17 2 3 1 39 164.232 2

Activity (Go SEA)

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