UCSF

ZINC25525686

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 2.30 6.26 -23.22 2 8 0 102 426.498 5
Hi High (pH 8-9.5) 2.30 6.32 -57.78 1 8 -1 104 425.49 5

Activity (Go SEA)

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