UCSF

ZINC34834032

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.48 7.76 -11.82 1 8 0 81 457.534 7
Mid Mid (pH 6-8) 3.48 10.02 -47.03 2 8 1 82 458.542 7

Activity (Go SEA)

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