UCSF

ZINC55104297

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 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) 2.39 5.69 -15.57 1 8 0 99 403.46 6
Mid Mid (pH 6-8) 2.39 5.75 -51.21 0 8 -1 101 402.452 6

Activity (Go SEA)

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