UCSF

ZINC22023079

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 1.86 4.43 -51.73 2 5 -1 92 259.266 1
Lo Low (pH 4.5-6) 1.86 4.22 -15.21 3 5 0 89 260.274 1
Lo Low (pH 4.5-6) 1.86 4.61 -38.11 4 5 1 91 261.282 1

Activity (Go SEA)

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