UCSF

ZINC34627986

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 5.39 9.11 -34.75 3 2 1 37 363.308 2
Mid Mid (pH 6-8) 5.39 8.06 -5.13 2 2 0 32 362.3 2

Activity (Go SEA)

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