UCSF

ZINC57508574

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 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) 3.28 6.06 -34.09 2 2 1 25 240.342 5
Mid Mid (pH 6-8) 3.28 6.3 -3.94 1 2 0 23 239.334 5

Activity (Go SEA)

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