UCSF

ZINC37797212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.93 5.19 -44.84 2 4 1 50 270.422 6
Mid Mid (pH 6-8) 0.93 4.1 -11.56 1 4 0 45 269.414 6

Activity (Go SEA)

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