UCSF

ZINC39733731

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 No

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) 3.61 11.12 -14.83 0 7 0 95 495.626 7
Mid Mid (pH 6-8) 3.61 12.08 -51.9 1 7 1 96 496.634 7

Activity (Go SEA)

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