UCSF

ZINC40825806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 1.82 5.09 -54.88 4 4 1 60 284.383 5
Hi High (pH 8-9.5) 1.82 4.68 -9 3 4 0 58 283.375 5

Activity (Go SEA)

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