UCSF

ZINC43191003

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 19 No

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) 0.69 2.24 -46.98 2 7 -1 115 267.261 7
Mid Mid (pH 6-8) 0.55 -0.33 -92.54 1 7 -2 122 266.253 7
Mid Mid (pH 6-8) -0.01 -0.28 -91.23 1 7 -2 122 266.253 7
Lo Low (pH 4.5-6) 0.69 0.26 -9.97 3 7 0 113 268.269 7

Activity (Go SEA)

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