UCSF

ZINC39847445

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 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) 2.95 7.03 -61.39 0 8 -1 95 475.521 7
Mid Mid (pH 6-8) 2.95 9.3 -69.27 1 8 0 96 476.529 7
Lo Low (pH 4.5-6) 2.95 8.55 -49.37 2 8 1 94 477.537 7

Activity (Go SEA)

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