UCSF

ZINC43401296

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) -1.13 0.91 -39.02 5 6 1 97 253.326 6
Mid Mid (pH 6-8) -1.13 1.93 -9.79 4 6 0 95 252.318 6
Lo Low (pH 4.5-6) -1.13 1.33 -91.46 6 6 2 98 254.334 6

Activity (Go SEA)

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