UCSF

ZINC22066964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.99 7.95 -15.2 1 5 0 60 356.378 3
Hi High (pH 8-9.5) 4.05 7.04 -43.83 0 5 -1 67 355.37 3

Activity (Go SEA)

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