UCSF

ZINC37979026

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.63 7.93 -34.05 2 4 1 52 300.806 8
Mid Mid (pH 6-8) 3.63 6.73 -5.81 1 4 0 48 299.798 8

Activity (Go SEA)

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