UCSF

ZINC37988952

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 0.78 7.43 -56.26 2 4 1 47 239.249 4
Mid Mid (pH 6-8) 0.78 6.07 -15.91 1 4 0 43 238.241 4

Activity (Go SEA)

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