UCSF

ZINC09354294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 35 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) 3.99 12.49 -81.9 1 7 0 87 474.557 10
Mid Mid (pH 6-8) 3.99 12.25 -48.25 2 7 1 84 475.565 10
Mid Mid (pH 6-8) 3.40 1.51 -48.99 1 7 1 81 475.565 10

Activity (Go SEA)

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