UCSF

ZINC44114469

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.58 6.45 -35.94 2 3 1 28 285.411 4
Mid Mid (pH 6-8) 2.58 4.17 -5.18 1 3 0 27 284.403 4

Activity (Go SEA)

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