UCSF

ZINC33767968

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 4.19 8.15 -23.19 2 8 0 102 456.499 7
Hi High (pH 8-9.5) 4.37 7.11 -48.43 1 8 -1 109 455.491 7

Activity (Go SEA)

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