UCSF

ZINC31917539

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) -1.72 0.05 -60.05 5 7 1 110 308.358 6
Hi High (pH 8-9.5) -1.72 -0.23 -13.9 4 7 0 108 307.35 6

Activity (Go SEA)

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