UCSF

ZINC22924295

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 1.92 5.94 -82.34 2 7 0 90 439.487 7
Lo Low (pH 4.5-6) 1.92 5.19 -51.84 3 7 1 87 440.495 7

Activity (Go SEA)

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