UCSF

ZINC44686209

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) -0.06 6.8 -84.06 3 5 2 41 296.459 5
Hi High (pH 8-9.5) -0.06 3.26 -41.69 2 5 1 43 295.451 5
Hi High (pH 8-9.5) -0.06 2.24 -8.58 1 5 0 39 294.443 5
Mid Mid (pH 6-8) -0.06 5.63 -113.78 3 5 2 45 296.459 5
Mid Mid (pH 6-8) -0.06 4.6 -36.95 2 5 1 40 295.451 5

Activity (Go SEA)

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