UCSF

ZINC20248550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 31 No

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 7.97 -18.37 1 7 0 55 445.585 11
Mid Mid (pH 6-8) 2.57 10.32 -73.15 2 7 1 57 446.593 11

Activity (Go SEA)

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