UCSF

ZINC26321219

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.88 10.19 -60.49 2 6 1 77 369.441 9
Mid Mid (pH 6-8) 2.88 7.88 -15 1 6 0 76 368.433 9

Activity (Go SEA)

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