UCSF

ZINC37821528

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) -1.39 2.23 -44.09 5 5 1 91 276.36 3
Mid Mid (pH 6-8) -1.39 1.9 -12.88 4 5 0 89 275.352 3

Activity (Go SEA)

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