UCSF

ZINC06803285

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 29 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) 4.32 12.95 -37.72 2 5 0 71 392.499 7
Hi High (pH 8-9.5) 4.32 11.59 -54.05 1 5 -1 66 391.491 7

Activity (Go SEA)

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