UCSF

ZINC20897565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 4.88 10.08 -12.78 1 4 0 47 352.478 9
Mid Mid (pH 6-8) 4.88 10.5 -31.99 2 4 1 49 353.486 9

Activity (Go SEA)

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