UCSF

ZINC21533308

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 0.09 8.45 -24.46 1 10 0 122 459.462 4
Hi High (pH 8-9.5) 1.00 7.4 -53.5 0 10 -1 125 458.454 4

Activity (Go SEA)

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