UCSF

ZINC44609630

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 0.68 2.77 -40.18 2 3 1 33 214.358 6
Hi High (pH 8-9.5) 0.68 3.72 -34.25 2 3 1 29 214.358 6
Hi High (pH 8-9.5) 0.68 1.34 -4.77 1 3 0 28 213.35 6
Mid Mid (pH 6-8) 0.68 5.16 -99.96 3 3 2 34 215.366 6

Activity (Go SEA)

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