UCSF

ZINC27130068

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 27 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) 1.94 4.53 -13.88 3 7 0 136 359.389 3
Lo Low (pH 4.5-6) 1.94 6 -64.68 4 7 1 140 360.397 3
Lo Low (pH 4.5-6) 1.94 4.38 -56.7 4 7 1 137 360.397 3

Activity (Go SEA)

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