UCSF

ZINC44510879

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 11 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) -1.17 0.71 -114.43 5 3 2 53 160.261 5
Mid Mid (pH 6-8) -1.17 0.34 -36.13 4 3 1 52 159.253 5
Mid Mid (pH 6-8) -1.17 -0.64 -41.35 4 3 1 49 159.253 5

Activity (Go SEA)

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