UCSF

ZINC34592995

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) -0.42 0.84 -124.9 6 5 2 83 256.346 9
Hi High (pH 8-9.5) -0.42 -0.56 -48.56 5 5 1 78 255.338 9
Mid Mid (pH 6-8) -0.42 0.46 -44.32 5 5 1 81 255.338 9

Activity (Go SEA)

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