UCSF

ZINC49477755

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 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) 1.07 4.58 -80.57 4 3 2 33 215.385 7
Mid Mid (pH 6-8) 1.07 4.48 -100.34 4 3 2 33 215.385 7
Lo Low (pH 4.5-6) 1.07 5.91 -191.02 5 3 3 38 216.393 7

Activity (Go SEA)

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