UCSF

ZINC34610210

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 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) 1.62 2.55 -6.61 1 4 0 52 223.272 4
Mid Mid (pH 6-8) 1.62 2.96 -34.21 2 4 1 53 224.28 4

Activity (Go SEA)

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