UCSF

ZINC31917544

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 0.19 4.33 -53.52 3 5 1 66 291.371 6
Hi High (pH 8-9.5) 0.19 4.05 -6.15 2 5 0 65 290.363 6

Activity (Go SEA)

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