UCSF

ZINC08060941

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 24 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) 4.99 9.3 -11.9 1 3 0 42 322.383 3
Lo Low (pH 4.5-6) 4.99 9.96 -32.5 2 3 1 43 323.391 3

Activity (Go SEA)

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