UCSF

ZINC24835843

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 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) 2.60 5.94 -13.69 1 7 0 80 374.485 7
Mid Mid (pH 6-8) 2.60 6.32 -54.71 2 7 1 82 375.493 7

Activity (Go SEA)

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