UCSF

ZINC01347255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2005 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.48 9.69 -47.52 2 6 1 64 364.473 4
Hi High (pH 8-9.5) 2.48 7.44 -13.64 1 6 0 63 363.465 4

Activity (Go SEA)

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