UCSF

ZINC25403171

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 27 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) 4.20 7.98 -21.55 1 6 0 73 377.425 5
Hi High (pH 8-9.5) 4.27 7.06 -57.59 0 6 -1 80 376.417 5

Activity (Go SEA)

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