UCSF

ZINC19716483

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 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) 3.00 10.37 -48.98 2 6 1 64 380.516 6
Hi High (pH 8-9.5) 3.00 8.45 -13.05 1 6 0 63 379.508 6

Activity (Go SEA)

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