UCSF

ZINC38584450

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.72 14.91 -15.32 1 5 0 56 482.068 11
Mid Mid (pH 6-8) 6.72 15.2 -40.49 2 5 1 57 483.076 11

Activity (Go SEA)

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