UCSF

ZINC21756052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 5.43 6.99 -55.1 0 6 -1 86 502.446 5
Lo Low (pH 4.5-6) 5.43 6.53 -17.66 1 6 0 84 503.454 5

Activity (Go SEA)

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