UCSF

ZINC37052358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) -2.29 2.58 -15.09 2 5 0 67 251.261 2
Mid Mid (pH 6-8) -2.29 2.89 -50.63 3 5 1 68 252.269 2

Activity (Go SEA)

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