UCSF

ZINC44116500

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 1.61 4.14 -38.02 2 4 1 41 261.345 3
Mid Mid (pH 6-8) 1.61 1.77 -6.18 1 4 0 40 260.337 3

Activity (Go SEA)

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