UCSF

ZINC00969695

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 16 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) 3.44 6.97 -8.81 0 3 0 33 236.702 2
Mid Mid (pH 6-8) 3.31 4.97 -5.84 1 3 0 38 236.702 2

Activity (Go SEA)

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