UCSF

ZINC43260762

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 2.47 3.68 -41.39 3 4 1 49 366.345 10
Hi High (pH 8-9.5) 2.47 3.35 -2.65 2 4 0 48 365.337 10
Mid Mid (pH 6-8) 2.47 5.04 -29.96 3 4 1 49 366.345 10
Mid Mid (pH 6-8) 2.47 5.38 -108.13 4 4 2 51 367.353 10

Activity (Go SEA)

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