UCSF

ZINC43388251

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.45 9.18 -110.11 3 2 2 21 274.811 6
Hi High (pH 8-9.5) 3.45 8.07 -36.79 2 2 1 16 273.803 6

Activity (Go SEA)

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