UCSF

ZINC37777011

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 3.05 8.3 -32.34 2 2 1 16 247.406 4
Mid Mid (pH 6-8) 3.05 6.85 -35.55 2 2 1 20 247.406 4
Lo Low (pH 4.5-6) 3.05 9.24 -98.06 3 2 2 21 248.414 4

Activity (Go SEA)

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