UCSF

ZINC26908480

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.91 7.09 -42.44 2 3 1 34 265.402 4
Mid Mid (pH 6-8) 1.91 4.99 -9.75 1 3 0 32 264.394 4

Activity (Go SEA)

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