UCSF

ZINC23066099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 19 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) -0.02 5.62 -56.42 3 4 1 57 263.361 5
Hi High (pH 8-9.5) -0.02 5.32 -9.77 2 4 0 56 262.353 5

Activity (Go SEA)

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