UCSF

ZINC35865313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 31 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) 3.05 9.47 -13.82 0 5 0 42 436.474 9
Lo Low (pH 4.5-6) 3.05 11.73 -55.9 1 5 1 43 437.482 9

Activity (Go SEA)

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