UCSF

ZINC45685267

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.46 5.18 -42.27 3 3 1 40 261.389 1
Hi High (pH 8-9.5) 0.46 4.87 -3.45 2 3 0 38 260.381 1
Lo Low (pH 4.5-6) 0.46 6.81 -126.44 4 3 2 41 262.397 1

Activity (Go SEA)

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