UCSF

ZINC61714706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 20 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) 3.89 7.46 -7.99 1 3 0 34 288.416 4
Lo Low (pH 4.5-6) 3.89 7.82 -24.72 2 3 1 35 289.424 4

Activity (Go SEA)

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