UCSF

ZINC42459066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) -0.70 0.95 -39.92 3 4 1 49 237.323 4
Hi High (pH 8-9.5) -0.70 0.63 -4.64 2 4 0 48 236.315 4
Lo Low (pH 4.5-6) -0.70 3.17 -119.45 4 4 2 51 238.331 4

Activity (Go SEA)

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