UCSF

ZINC06706860

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 3.94 -4.02 -8.71 1 4 0 59 337.615 3
Hi High (pH 8-9.5) 3.94 -3.45 -35.27 0 4 -1 61 336.607 3

Activity (Go SEA)

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