UCSF

ZINC33779083

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 5.46 12.88 -51.28 3 6 1 66 459.699 13
Hi High (pH 8-9.5) 5.46 10.67 -15.91 2 6 0 65 458.691 13

Activity (Go SEA)

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