UCSF

ZINC22061687

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 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) -3.57 -10.45 -52.53 7 6 1 118 180.18 1
Hi High (pH 8-9.5) -3.57 -10.95 -11.9 6 6 0 116 179.172 1

Activity (Go SEA)

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