UCSF

ZINC26505444

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 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) 2.17 10.52 -70.57 0 5 -1 75 333.367 3
Mid Mid (pH 6-8) 2.17 9.63 -32.9 1 5 0 78 334.375 3
Mid Mid (pH 6-8) 2.17 10.9 -98.6 1 5 0 76 334.375 3
Lo Low (pH 4.5-6) 2.17 10.01 -71.79 2 5 1 79 335.383 3

Activity (Go SEA)

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