UCSF

ZINC22218569

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) 1.18 4.53 -41.65 2 3 1 34 219.736 4
Hi High (pH 8-9.5) 1.18 2.16 -8.99 1 3 0 32 218.728 4

Activity (Go SEA)

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