UCSF

ZINC37814523

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.99 2.72 -54.91 2 6 1 66 274.366 3
Mid Mid (pH 6-8) -0.99 1.42 -13.81 1 6 0 62 273.358 3

Activity (Go SEA)

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