UCSF

ZINC07127610

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2006 25 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) 2.28 2.58 -49.67 1 7 -1 96 338.343 5
Lo Low (pH 4.5-6) 2.28 1.85 -15.43 2 7 0 93 339.351 5

Activity (Go SEA)

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