UCSF

ZINC43401257

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -0.11 3.34 -34.25 4 5 1 77 237.327 6
Mid Mid (pH 6-8) -0.11 3.41 -6.27 3 5 0 75 236.319 6
Lo Low (pH 4.5-6) -0.11 3.77 -84.86 5 5 2 78 238.335 6

Activity (Go SEA)

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