UCSF

ZINC22534262

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 2.97 8.01 -11.15 1 2 0 29 233.286 4
Hi High (pH 8-9.5) 3.04 6.09 -5.52 1 2 0 33 233.286 4

Activity (Go SEA)

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