UCSF

ZINC40115986

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 1.68 4.57 -60.41 1 7 -1 101 354.338 7
Lo Low (pH 4.5-6) 1.68 3.67 -17.35 2 7 0 98 355.346 7

Activity (Go SEA)

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