UCSF

ZINC07052459

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 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) 4.40 -2.48 -10.17 1 5 0 68 400.403 6
Hi High (pH 8-9.5) 4.40 -1.9 -39.74 0 5 -1 70 399.395 6

Activity (Go SEA)

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