UCSF

ZINC42465169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.47 3.82 -30.08 2 3 1 34 214.329 3
Hi High (pH 8-9.5) 1.47 1.42 -4.9 1 3 0 33 213.321 3

Activity (Go SEA)

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