UCSF

ZINC34537667

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 7.56 15.32 -40.03 1 4 1 32 460.619 8
Hi High (pH 8-9.5) 7.56 13.11 -9.09 0 4 0 31 459.611 8

Activity (Go SEA)

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