UCSF

ZINC43894503

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 2.12 7.21 -28.68 2 3 1 29 248.394 5
Hi High (pH 8-9.5) 2.12 6.26 -36.65 2 3 1 33 248.394 5
Mid Mid (pH 6-8) 2.12 6.28 -90.98 3 3 2 34 249.402 5

Activity (Go SEA)

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