UCSF

ZINC39755555

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 1.23 2.81 -12.99 2 7 0 89 308.363 7
Hi High (pH 8-9.5) 1.23 2.62 -46.73 1 7 -1 87 307.355 7

Activity (Go SEA)

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