UCSF

ZINC03807952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 20 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) 2.38 -2.07 -11.27 2 4 0 61 261.284 1
Lo Low (pH 4.5-6) 2.38 -1.96 -42.49 3 4 1 62 262.292 1

Activity (Go SEA)

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