UCSF

ZINC37052343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -2.13 1.99 -18.8 3 6 0 99 276.271 4
Mid Mid (pH 6-8) -2.13 2.29 -58.34 4 6 1 101 277.279 4

Activity (Go SEA)

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