UCSF

ZINC37820678

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 3.35 6.99 -46.07 3 3 1 48 279.448 1
Hi High (pH 8-9.5) 3.35 6.84 -5.97 2 3 0 46 278.44 1

Activity (Go SEA)

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