UCSF

ZINC29932064

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 28 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) 3.11 8.54 -8.24 1 5 0 55 376.456 6
Lo Low (pH 4.5-6) 3.11 10.53 -36.99 2 5 1 56 377.464 6

Activity (Go SEA)

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