UCSF

ZINC37803477

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) -0.76 2.93 -44.21 3 6 1 77 284.38 3
Hi High (pH 8-9.5) -0.76 2.62 -15.4 2 6 0 76 283.372 3

Activity (Go SEA)

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