UCSF

ZINC57255075

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 26 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) 5.88 11.28 -34.35 2 4 1 50 356.534 10
Hi High (pH 8-9.5) 5.88 9.3 -15.53 1 4 0 48 355.526 10
Lo Low (pH 4.5-6) 5.88 12.27 -90.23 3 4 2 51 357.542 10

Activity (Go SEA)

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