UCSF

ZINC25369026

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 19 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) 3.22 8.86 -6.55 1 3 0 49 251.333 4
Lo Low (pH 4.5-6) 3.22 9.18 -34.58 2 3 1 50 252.341 4

Activity (Go SEA)

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