UCSF

ZINC34667932

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 2.32 5.7 -11.49 2 6 0 69 368.481 6
Mid Mid (pH 6-8) 2.32 6.04 -35.45 3 6 1 70 369.489 6
Lo Low (pH 4.5-6) 2.32 8.3 -103.89 4 6 2 71 370.497 6
Lo Low (pH 4.5-6) 2.32 7.98 -46.68 3 6 1 70 369.489 6

Activity (Go SEA)

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