UCSF

ZINC06663982

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 6.08 12.13 -48.86 2 4 1 46 356.534 11
Lo Low (pH 4.5-6) 6.08 12.41 -87.28 3 4 2 48 357.542 11

Activity (Go SEA)

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