UCSF

ZINC19636708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 2.54 7.63 -35.83 1 2 1 8 233.379 4
Lo Low (pH 4.5-6) 2.54 9.28 -98.35 2 2 2 9 234.387 4

Activity (Go SEA)

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