UCSF

ZINC62842281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 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) 1.72 4.9 -51.12 3 5 1 64 288.371 1
Lo Low (pH 4.5-6) 1.72 4.67 -95.91 4 5 2 65 289.379 1

Activity (Go SEA)

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