UCSF

ZINC49541654

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 19 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) 2.73 3.11 -14.09 3 5 0 88 295.389 2
Mid Mid (pH 6-8) 1.80 2.57 -54.55 2 5 -1 87 294.381 3
Lo Low (pH 4.5-6) 2.73 2.96 -57.29 4 5 1 90 296.397 2

Activity (Go SEA)

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