UCSF

ZINC43401216

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) -0.22 1.53 -34.59 5 5 1 88 237.327 6
Mid Mid (pH 6-8) -0.22 2.78 -7.55 4 5 0 86 236.319 6
Lo Low (pH 4.5-6) -0.22 2.09 -85.17 6 5 2 89 238.335 6

Activity (Go SEA)

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