UCSF

ZINC12602647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 24 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) 2.73 9.93 -16.84 1 5 0 60 338.436 4
Mid Mid (pH 6-8) 2.73 10.23 -36.5 2 5 1 61 339.444 4

Activity (Go SEA)

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