UCSF

ZINC07051265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 19 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) 4.33 -2.95 -7.25 1 3 0 46 391.205 3
Hi High (pH 8-9.5) 4.33 -2.37 -35.13 0 3 -1 48 390.197 3

Activity (Go SEA)

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