UCSF

ZINC33593832

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 5.69 11.1 -30.65 2 7 0 87 469.998 5
Hi High (pH 8-9.5) 5.87 10.03 -62.68 1 7 -1 94 468.99 5

Activity (Go SEA)

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