UCSF

ZINC41718992

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 1.61 7.42 -58.16 3 5 1 71 260.317 5
Hi High (pH 8-9.5) 1.61 4.94 -39.66 2 5 0 70 259.309 5
Hi High (pH 8-9.5) 1.61 7 -50.99 2 5 0 69 259.309 5

Activity (Go SEA)

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