UCSF

ZINC25318834

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 20 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) 0.90 1.93 -42.88 3 6 1 66 285.412 5
Hi High (pH 8-9.5) 0.90 -0.08 -14.95 2 6 0 65 284.404 5
Hi High (pH 8-9.5) 0.90 1.95 -42.16 3 6 1 66 285.412 5

Activity (Go SEA)

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