UCSF

ZINC20545853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 17 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) 4.00 7.82 -33.77 2 2 1 20 243.459 9
Mid Mid (pH 6-8) 4.00 9.7 -112.45 3 2 2 21 244.467 9

Activity (Go SEA)

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