UCSF

ZINC35767183

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 36 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) 2.57 11.15 -23.27 0 7 0 66 493.579 11
Mid Mid (pH 6-8) 2.57 13.42 -71.3 1 7 1 67 494.587 11

Activity (Go SEA)

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