UCSF

ZINC37790741

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -0.41 4.4 -25.76 1 5 0 68 208.217 3
Hi High (pH 8-9.5) 0.34 3.31 -52.28 1 5 -1 74 207.209 2

Activity (Go SEA)

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