UCSF

ZINC51762263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 15 Yes

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) 0.23 3.95 -38.02 1 4 1 28 212.317 4
Hi High (pH 8-9.5) 0.23 1.56 -7.58 0 4 0 27 211.309 4
Mid Mid (pH 6-8) 0.23 6.18 -92.98 2 4 2 29 213.325 4

Activity (Go SEA)

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