UCSF

ZINC37870300

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 0.56 1.98 -32.51 4 4 1 60 226.344 5
Mid Mid (pH 6-8) 0.56 0.84 -41.9 4 4 1 63 226.344 5
Lo Low (pH 4.5-6) 0.56 3.06 -102.14 5 4 2 64 227.352 5

Activity (Go SEA)

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