UCSF

ZINC33730553

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 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) 4.14 8.5 -18.88 2 7 0 93 424.526 7
Hi High (pH 8-9.5) 4.32 7.42 -47.11 1 7 -1 100 423.518 7

Activity (Go SEA)

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