UCSF

ZINC36158512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.60 3.08 -44.41 3 5 1 73 277.323 3
Hi High (pH 8-9.5) 0.60 1.74 -7.61 2 5 0 68 276.315 3
Lo Low (pH 4.5-6) 0.60 3.96 -38.17 3 5 1 69 277.323 3
Lo Low (pH 4.5-6) 0.60 5.29 -122.63 4 5 2 74 278.331 3

Activity (Go SEA)

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