UCSF

ZINC36612350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.03 5.52 -32.78 2 5 0 75 305.302 5
Mid Mid (pH 6-8) 0.03 4.26 -43.1 1 5 -1 71 304.294 5

Activity (Go SEA)

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