UCSF

ZINC45664222

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.62 8.69 -95.86 3 3 2 24 291.483 9
Hi High (pH 8-9.5) 2.62 7.5 -34.4 2 3 1 20 290.475 9
Mid Mid (pH 6-8) 2.62 9.98 -81.44 3 3 2 21 291.483 9

Activity (Go SEA)

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