UCSF

ZINC37816139

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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) -1.25 1.13 -48.23 3 4 1 61 200.287 3
Hi High (pH 8-9.5) -1.25 0.73 -11.97 2 4 0 59 199.279 3

Activity (Go SEA)

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