UCSF

ZINC41248293

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 19 No

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) 2.29 4.59 -9.23 1 4 0 63 253.257 1
Hi High (pH 8-9.5) 2.29 5.37 -39.71 0 4 -1 66 252.249 1
Lo Low (pH 4.5-6) 2.29 5.07 -40.6 2 4 1 65 254.265 1

Activity (Go SEA)

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