UCSF

ZINC08858385

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.89 10.09 -49.79 2 6 1 71 486.386 9
Mid Mid (pH 6-8) 3.31 10.74 -61.03 1 6 1 68 486.386 9

Activity (Go SEA)

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