UCSF

ZINC71863763

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2012 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) 2.71 5.61 -42.01 2 4 1 46 243.371 3
Mid Mid (pH 6-8) 2.71 4.56 -5 1 4 0 42 242.363 3

Activity (Go SEA)

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