UCSF

ZINC37800794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -2.15 -0.61 -50.03 4 7 1 95 240.287 5
Hi High (pH 8-9.5) -2.15 -1.01 -12.43 3 7 0 93 239.279 5

Activity (Go SEA)

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