UCSF

ZINC37801778

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.48 3.56 -42.68 2 5 1 53 275.376 5
Hi High (pH 8-9.5) -0.48 2.18 -8.55 1 5 0 48 274.368 5
Lo Low (pH 4.5-6) -0.48 4.01 -82.43 3 5 2 54 276.384 5

Activity (Go SEA)

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