UCSF

ZINC37821169

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.26 1.94 -49.47 5 5 1 91 276.36 4
Mid Mid (pH 6-8) -1.26 1.61 -15.31 4 5 0 89 275.352 4

Activity (Go SEA)

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