UCSF

ZINC37819280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -1.92 3.91 -98.67 4 6 2 73 272.393 5
Hi High (pH 8-9.5) -1.92 2.19 -55.54 3 6 1 71 271.385 5

Activity (Go SEA)

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