UCSF

ZINC33779838

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 5.19 12 -24.22 1 7 0 84 458.628 12
Hi High (pH 8-9.5) 5.38 10.94 -52.08 0 7 -1 91 457.62 12

Activity (Go SEA)

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