UCSF

ZINC41669049

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 6.25 8.91 -6.88 0 5 0 52 459.464 4
Mid Mid (pH 6-8) 6.25 11.89 -45.88 1 5 1 53 460.472 4

Activity (Go SEA)

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