UCSF

ZINC37052333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.09 5.82 -4.77 2 3 0 46 262.328 2
Mid Mid (pH 6-8) 1.09 6.12 -48.74 3 3 1 48 263.336 2

Activity (Go SEA)

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