UCSF

ZINC44675724

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 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) 2.48 7.84 -123.69 4 2 2 33 232.371 4
Mid Mid (pH 6-8) 2.48 6.57 -39.16 3 2 1 29 231.363 4

Activity (Go SEA)

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