UCSF

ZINC37843580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 2.86 4.48 -10.38 1 4 0 55 291.8 7
Hi High (pH 8-9.5) 2.86 4.53 -45.95 0 4 -1 57 290.792 7

Activity (Go SEA)

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