UCSF

ZINC35866180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 27 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) 0.95 1.16 -13.65 1 7 0 65 377.485 6
Mid Mid (pH 6-8) 0.95 3.46 -44.6 2 7 1 67 378.493 6
Mid Mid (pH 6-8) 0.95 3.43 -48.6 2 7 1 67 378.493 6
Lo Low (pH 4.5-6) 0.95 5.74 -110.76 3 7 2 68 379.501 6

Activity (Go SEA)

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