UCSF

ZINC39952279

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 3.10 4.32 -42.79 3 6 1 81 279.316 6
Mid Mid (pH 6-8) 3.10 2.96 -8.62 2 6 0 77 278.308 6

Activity (Go SEA)

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