UCSF

ZINC43969017

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.79 7.91 -108.18 3 3 2 30 278.44 5
Hi High (pH 8-9.5) 2.79 5.94 -3.2 1 3 0 24 276.424 5
Hi High (pH 8-9.5) 2.79 7.39 -33.58 2 3 1 29 277.432 5
Mid Mid (pH 6-8) 2.79 8.15 -33.59 2 3 1 26 277.432 5

Activity (Go SEA)

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