UCSF

ZINC19921713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

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 6.49 -37.04 1 3 -1 59 292.145 3
Mid Mid (pH 6-8) 3.89 5.83 -6.8 2 3 0 56 293.153 3

Activity (Go SEA)

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