UCSF

ZINC42444932

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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) 2.34 7.02 -37.72 2 3 1 26 265.402 2
Mid Mid (pH 6-8) 2.34 5.43 -5.19 1 3 0 24 264.394 2

Activity (Go SEA)

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