UCSF

ZINC00317875

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 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) 1.39 8.96 -97.25 2 3 2 22 247.386 3
Lo Low (pH 4.5-6) 1.39 9.21 -185.91 3 3 3 23 248.394 3

Activity (Go SEA)

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