UCSF

ZINC02589441

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2004 22 No

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) 5.59 8.77 -6.29 1 3 0 45 377.238 2
Ref Reference (pH 7) 5.59 9.18 -6.64 1 3 0 45 377.238 2
Hi High (pH 8-9.5) 6.05 7 -44.01 0 3 -1 48 376.23 2
Hi High (pH 8-9.5) 6.05 7.68 -42.82 0 3 -1 48 376.23 2

Activity (Go SEA)

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