UCSF

ZINC34530222

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 2.28 5.96 -29.55 1 2 1 14 186.319 2
Hi High (pH 8-9.5) 2.28 4.12 -1.56 0 2 0 12 185.311 2

Activity (Go SEA)

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