UCSF

ZINC34948537

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.63 7.83 -17.62 0 7 0 68 484.618 10
Mid Mid (pH 6-8) 3.63 10.1 -53.38 1 7 1 70 485.626 10

Activity (Go SEA)

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