UCSF

ZINC40175705

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 18 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) 2.34 5.7 -8.95 1 4 0 51 248.257 4
Lo Low (pH 4.5-6) 2.34 6.11 -27.67 2 4 1 52 249.265 4

Activity (Go SEA)

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