UCSF

ZINC25146608

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 25 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) -0.34 2.07 -23.84 2 9 0 129 367.383 4
Hi High (pH 8-9.5) 0.56 1.01 -51.84 1 9 -1 132 366.375 4

Activity (Go SEA)

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