UCSF

ZINC07323205

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2006 21 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) 3.30 5.79 -10.03 1 5 0 72 305.355 5
Hi High (pH 8-9.5) 3.30 5.86 -40.54 0 5 -1 75 304.347 5

Activity (Go SEA)

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