UCSF

ZINC43396074

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.29 7.73 -48.25 3 4 1 58 267.356 2
Mid Mid (pH 6-8) 2.29 7.3 -9.99 2 4 0 57 266.348 2
Lo Low (pH 4.5-6) 2.29 8.2 -106.98 4 4 2 60 268.364 2

Activity (Go SEA)

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