UCSF

ZINC34686478

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 21 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) 1.18 6.59 -43.55 2 4 1 46 293.362 5
Hi High (pH 8-9.5) 1.18 5.23 -8.96 1 4 0 42 292.354 5

Activity (Go SEA)

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