UCSF

ZINC36790224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 3.28 7.38 -125.2 4 2 2 32 301.272 6
Hi High (pH 8-9.5) 3.28 7.8 -30.81 3 2 1 30 300.264 6
Mid Mid (pH 6-8) 3.28 5.81 -45.77 3 2 1 31 300.264 6

Activity (Go SEA)

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