UCSF

ZINC34688418

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 3.01 9.8 -46.81 2 9 1 90 466.591 9
Mid Mid (pH 6-8) 3.01 7.55 -12.89 1 9 0 88 465.583 9

Activity (Go SEA)

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