UCSF

ZINC43401187

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) 1.09 6.76 -39.39 4 4 1 68 273.335 4
Mid Mid (pH 6-8) 1.09 7.73 -7.08 3 4 0 66 272.327 4
Lo Low (pH 4.5-6) 1.09 7.19 -96.91 5 4 2 69 274.343 4

Activity (Go SEA)

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