UCSF

ZINC34668650

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 3.80 8.26 -10.52 1 4 0 36 369.896 6
Mid Mid (pH 6-8) 3.80 10.47 -47.67 2 4 1 37 370.904 6

Activity (Go SEA)

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