UCSF

ZINC49408840

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 27 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) 3.45 6.72 -8.1 1 5 0 51 368.477 6
Lo Low (pH 4.5-6) 3.45 8.63 -40.89 2 5 1 52 369.485 6

Activity (Go SEA)

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