UCSF

ZINC20217807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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 7.99 -37.02 1 3 1 25 253.753 2
Hi High (pH 8-9.5) 2.57 5.54 -5.09 0 3 0 24 252.745 2

Activity (Go SEA)

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