UCSF

ZINC33807114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 28 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) 4.36 8.49 -49.99 1 7 -1 104 397.432 6
Lo Low (pH 4.5-6) 3.87 8.51 -93.27 0 7 -2 103 396.424 7
Lo Low (pH 4.5-6) 3.87 8.96 -55.33 1 7 -1 101 397.432 7

Activity (Go SEA)

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