UCSF

ZINC09110280

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 3.72 10.54 -57.38 0 8 -1 105 490.561 5
Mid Mid (pH 6-8) 4.17 10.47 -19.02 1 8 0 102 491.569 4

Activity (Go SEA)

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