UCSF

ZINC27789163

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 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) 3.52 11.74 -42.62 1 3 1 22 310.396 4
Mid Mid (pH 6-8) 3.52 10.24 -10.07 0 3 0 21 309.388 4

Activity (Go SEA)

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