UCSF

ZINC37812680

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.73 3.3 -86.46 3 5 2 45 254.378 2
Hi High (pH 8-9.5) -0.73 -0.29 -7.54 1 5 0 39 252.362 2
Mid Mid (pH 6-8) -0.73 1.08 -41.82 2 5 1 43 253.37 2

Activity (Go SEA)

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