UCSF

ZINC40671763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 14 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) 1.82 5.39 -34.56 2 2 1 16 211.354 3
Lo Low (pH 4.5-6) 1.82 6.59 -107.1 3 2 2 21 212.362 3

Activity (Go SEA)

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