UCSF

ZINC34963614

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 0.74 3.71 -101.38 4 3 2 35 241.404 3
Hi High (pH 8-9.5) 0.74 1.02 -3.38 2 3 0 32 239.388 3
Mid Mid (pH 6-8) 0.74 1.35 -45.34 3 3 1 34 240.396 3

Activity (Go SEA)

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