UCSF

ZINC27367518

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 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) 4.21 11.14 -55.54 2 3 1 34 363.403 5
Mid Mid (pH 6-8) 4.21 8.89 -11.05 1 3 0 32 362.395 5

Activity (Go SEA)

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