UCSF

ZINC34970961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 2.95 7.17 -12.75 2 8 0 83 466.582 6
Mid Mid (pH 6-8) 2.95 9.37 -57.66 3 8 1 84 467.59 6

Activity (Go SEA)

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