UCSF

ZINC51959204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) 1.18 2.88 -5.29 0 5 0 42 270.373 5
Mid Mid (pH 6-8) 1.18 7.42 -96.99 2 5 2 44 272.389 5
Mid Mid (pH 6-8) 1.18 4.87 -36.67 1 5 1 43 271.381 5
Mid Mid (pH 6-8) 1.18 5.39 -36.23 1 5 1 43 271.381 5

Activity (Go SEA)

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