UCSF

ZINC62954973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 3.73 10.66 -40.63 1 3 1 31 290.427 6
Mid Mid (pH 6-8) 3.73 8.49 -9.46 0 3 0 30 289.419 6

Activity (Go SEA)

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