UCSF

ZINC53420223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 24 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) 3.28 8.38 -38.6 2 4 1 37 335.512 8
Hi High (pH 8-9.5) 3.28 6.02 -5.95 1 4 0 36 334.504 8

Activity (Go SEA)

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