UCSF

ZINC37808645

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 1.07 5.04 -41.9 3 3 1 48 221.324 4
Hi High (pH 8-9.5) 1.07 4.77 -6.99 2 3 0 46 220.316 4

Activity (Go SEA)

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