UCSF

ZINC39271148

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 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) 1.84 2.68 -1.93 0 2 0 12 157.257 3
Mid Mid (pH 6-8) 1.84 4.97 -33.61 1 2 1 14 158.265 3

Activity (Go SEA)

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