UCSF

ZINC69382484

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 18 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) 4.56 8.37 -35.52 2 2 1 29 269.478 8
Hi High (pH 8-9.5) 4.56 7.69 -2.91 1 2 0 25 268.47 8
Lo Low (pH 4.5-6) 4.56 8.7 -93.23 3 2 2 31 270.486 8

Activity (Go SEA)

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