UCSF

ZINC37802787

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -0.96 0.26 -44.96 3 6 1 73 291.375 3
Mid Mid (pH 6-8) -0.96 0.27 -84.53 4 6 2 75 292.383 3
Mid Mid (pH 6-8) -0.96 2.5 -102.54 4 6 2 74 292.383 3
Lo Low (pH 4.5-6) -0.96 2.49 -185.97 5 6 3 76 293.391 3

Activity (Go SEA)

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