UCSF

ZINC20933709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 3.38 7.39 -42.14 2 3 1 35 343.266 6
Mid Mid (pH 6-8) 3.38 5.89 -5.74 1 3 0 30 342.258 6

Activity (Go SEA)

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