UCSF

ZINC57828081

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 21 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) 1.67 4.53 -36.89 2 5 1 46 292.403 6
Hi High (pH 8-9.5) 1.67 2.24 -8.49 1 5 0 45 291.395 6

Activity (Go SEA)

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