UCSF

ZINC34695984

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 33 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) 0.46 4.44 -18.25 1 11 0 116 462.503 11
Mid Mid (pH 6-8) 0.46 6.7 -55.72 2 11 1 117 463.511 11

Activity (Go SEA)

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