UCSF

ZINC34441363

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 25 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) 2.98 9.92 -40.55 2 4 1 41 338.475 3
Hi High (pH 8-9.5) 2.98 8.54 -6.36 1 4 0 40 337.467 3
Mid Mid (pH 6-8) 2.98 8.87 -30.93 2 4 1 41 338.475 3

Activity (Go SEA)

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