UCSF

ZINC49992925

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 29 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) 2.59 3.6 -29.04 3 9 0 115 396.403 7
Hi High (pH 8-9.5) 2.59 4.61 -74.4 2 9 -1 118 395.395 7

Activity (Go SEA)

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