UCSF

ZINC51379799

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 23 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) 1.67 6.34 -51.52 2 6 1 63 320.413 6
Mid Mid (pH 6-8) 1.67 4.14 -20.25 1 6 0 62 319.405 6

Activity (Go SEA)

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