UCSF

ZINC33793227

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 4.00 9.55 -32.41 2 8 0 96 437.525 5
Hi High (pH 8-9.5) 4.18 8.47 -65.76 1 8 -1 103 436.517 5

Activity (Go SEA)

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