UCSF

ZINC42945548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 17 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) 1.55 1.39 -44.83 4 3 1 51 257.785 6
Mid Mid (pH 6-8) 1.55 2.99 -112.08 5 3 2 52 258.793 6
Mid Mid (pH 6-8) 1.55 2.67 -32.29 4 3 1 51 257.785 6

Activity (Go SEA)

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