UCSF

ZINC44133588

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) 2.63 5.92 -5.65 1 3 0 36 284.403 6
Mid Mid (pH 6-8) 2.63 8.22 -34.12 2 3 1 38 285.411 6
Mid Mid (pH 6-8) 2.63 5.94 -29.9 2 3 1 38 285.411 6

Activity (Go SEA)

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