UCSF

ZINC43907033

Substance Information

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

Download: MOL2 SDF SMILES Flexibase

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) 2.13 7.85 -35.42 2 3 1 26 277.432 6
Mid Mid (pH 6-8) 2.13 8.8 -123.28 3 3 2 30 278.44 6
Mid Mid (pH 6-8) 2.13 6.96 -36.62 2 3 1 29 277.432 6

Activity (Go SEA)

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