UCSF

ZINC51088499

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 19 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) 1.26 3.95 -38.22 2 4 1 43 272.34 9
Mid Mid (pH 6-8) 1.26 2.2 -5.97 1 4 0 42 271.332 9

Activity (Go SEA)

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