UCSF

ZINC09046685

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 36 No

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) 0.99 4.68 -60.59 0 10 -1 114 516.596 9
Mid Mid (pH 6-8) 0.99 7.02 -80.29 1 10 0 115 517.604 9

Activity (Go SEA)

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