UCSF

ZINC37807642

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) 1.67 6.16 -49.86 3 3 1 48 283.342 5
Hi High (pH 8-9.5) 1.67 6.07 -6.79 2 3 0 46 282.334 5

Activity (Go SEA)

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