UCSF

ZINC37810448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 No

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) -0.90 2.12 -50.11 3 4 1 57 219.33 5
Hi High (pH 8-9.5) -0.90 1.74 -10.13 2 4 0 56 218.322 5

Activity (Go SEA)

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