UCSF

ZINC47277954

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.36 8.11 -15.17 1 5 0 62 365.458 5
Lo Low (pH 4.5-6) 2.36 8.57 -40.6 2 5 1 64 366.466 5

Activity (Go SEA)

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