UCSF

ZINC37979294

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 4.62 9.1 -54.07 2 1 1 17 351.211 5
Mid Mid (pH 6-8) 4.62 7.75 -4.24 1 1 0 12 350.203 5

Activity (Go SEA)

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