UCSF

ZINC09471030

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 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) 3.34 8.6 -63.4 0 8 -1 97 466.51 10
Mid Mid (pH 6-8) 3.79 7.51 -28.99 1 8 0 95 467.518 9

Activity (Go SEA)

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