UCSF

ZINC34913459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.02 8.77 -18.27 1 8 0 74 474.561 8
Mid Mid (pH 6-8) 4.02 11.05 -57.37 2 8 1 76 475.569 8

Activity (Go SEA)

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