UCSF

ZINC31972464

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 No

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) -0.30 4.15 -48.69 3 6 -1 108 290.324 4
Mid Mid (pH 6-8) -0.30 4.17 -93.45 2 6 -2 106 289.316 4

Activity (Go SEA)

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