UCSF

ZINC43894315

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 1.97 6.06 -41.89 2 4 1 42 286.399 7
Hi High (pH 8-9.5) 1.97 4.34 -5.98 1 4 0 37 285.391 7
Mid Mid (pH 6-8) 1.97 7.96 -125.96 3 4 2 43 287.407 7
Mid Mid (pH 6-8) 1.97 6.14 -98.28 3 4 2 43 287.407 7

Activity (Go SEA)

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