UCSF

ZINC41199880

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 3.65 9.13 -34.53 2 2 1 29 299.463 4
Hi High (pH 8-9.5) 3.65 8.67 -5.36 1 2 0 25 298.455 4
Lo Low (pH 4.5-6) 3.65 9.59 -89.2 3 2 2 31 300.471 4

Activity (Go SEA)

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