UCSF

ZINC37816795

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -0.50 1.66 -49.61 3 4 1 51 212.317 4
Mid Mid (pH 6-8) -0.50 3.86 -102 4 4 2 52 213.325 4

Activity (Go SEA)

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