UCSF

ZINC37052215

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) -2.27 1.92 -21.19 3 6 0 99 258.281 4
Mid Mid (pH 6-8) -2.27 2.22 -57.72 4 6 1 101 259.289 4

Activity (Go SEA)

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