UCSF

ZINC61757039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 17 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) 2.39 7.37 -32.62 1 3 1 23 299.188 2
Hi High (pH 8-9.5) 2.39 5.05 -4.63 0 3 0 22 298.18 2

Activity (Go SEA)

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