UCSF

ZINC09184901

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 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) 3.57 10.13 -56 2 8 0 104 496.604 11
Mid Mid (pH 6-8) 2.99 9.89 -50.52 2 8 1 98 497.612 11

Activity (Go SEA)

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