UCSF

ZINC37801803

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.11 6.61 -41.32 3 3 1 48 279.379 6
Hi High (pH 8-9.5) 2.11 6.34 -7.39 2 3 0 46 278.371 6

Activity (Go SEA)

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