UCSF

ZINC03652439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 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) 1.38 1.56 -41.98 3 3 1 46 194.254 1
Hi High (pH 8-9.5) 1.38 0.29 -4.67 2 3 0 41 193.246 1

Activity (Go SEA)

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