UCSF

ZINC33923179

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.11 10.02 -69.44 2 9 -1 143 482.307 8
Hi High (pH 8-9.5) -0.11 9.49 -128.18 1 9 -2 139 481.299 8
Mid Mid (pH 6-8) -0.11 8.02 -33.63 3 9 0 141 483.315 8

Activity (Go SEA)

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