UCSF

ZINC20544186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 15 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) 1.48 5.3 -40.5 2 4 1 37 212.317 2
Mid Mid (pH 6-8) 1.48 3.14 -7.58 1 4 0 36 211.309 2

Activity (Go SEA)

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