UCSF

ZINC05846541

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 25 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) 4.11 12.38 -37.79 2 3 1 34 337.487 7
Hi High (pH 8-9.5) 4.11 10.06 -7.72 1 3 0 32 336.479 7

Activity (Go SEA)

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