UCSF

ZINC05154842

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 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) 3.71 5.43 -53.38 0 4 -1 62 294.359 4
Mid Mid (pH 6-8) 3.71 -3.22 -14.91 1 4 0 58 295.367 4
Lo Low (pH 4.5-6) 3.25 -1.65 -44.35 2 4 1 59 296.375 4

Activity (Go SEA)

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