UCSF

ZINC35752503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 33 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) 2.33 10.31 -56.99 3 6 1 71 451.635 12
Mid Mid (pH 6-8) 2.33 12.52 -104.41 4 6 2 73 452.643 12

Activity (Go SEA)

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