UCSF

ZINC51732174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 21 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) 1.76 7.52 -26.14 4 5 1 76 289.403 2
Mid Mid (pH 6-8) 1.76 7.11 -7.05 3 5 0 75 288.395 2

Activity (Go SEA)

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