UCSF

ZINC27346091

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 23 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) 2.62 5.32 -6.97 1 3 0 33 315.388 5
Mid Mid (pH 6-8) 2.62 7.65 -47.78 2 3 1 34 316.396 5

Activity (Go SEA)

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