UCSF

ZINC35124604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) -0.66 1.95 -48.99 2 7 0 86 273.333 8
Hi High (pH 8-9.5) -0.66 -0.34 -50.87 1 7 -1 85 272.325 8
Mid Mid (pH 6-8) -0.66 1.85 -64.91 2 7 0 86 273.333 8

Activity (Go SEA)

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