UCSF

ZINC37817530

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) -1.55 -0.05 -47.62 4 6 1 80 241.315 2
Hi High (pH 8-9.5) -1.55 -0.37 -18.31 3 6 0 79 240.307 2

Activity (Go SEA)

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