UCSF

ZINC06051219

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.83 9.41 -13.83 1 9 0 100 373.413 8
Hi High (pH 8-9.5) 2.08 8.33 -33.02 0 9 -1 107 372.405 7

Activity (Go SEA)

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