UCSF

ZINC31165335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 21 Yes

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) 0.04 0.31 -45.65 2 7 -1 112 285.283 4
Lo Low (pH 4.5-6) -0.42 1.13 -20.69 3 7 0 109 286.291 4

Activity (Go SEA)

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