UCSF

ZINC36365512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 2.36 5.72 -13.1 1 6 0 60 371.412 6
Mid Mid (pH 6-8) 2.36 7.98 -55.57 2 6 1 61 372.42 6

Activity (Go SEA)

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