UCSF

ZINC33729910

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 31 No

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) 4.35 9.28 -16.84 2 7 0 88 459.593 7
Hi High (pH 8-9.5) 4.35 9.35 -45.48 1 7 -1 90 458.585 7

Activity (Go SEA)

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