UCSF

ZINC41667592

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) 5.35 10.35 -14.66 0 5 0 52 445.49 5
Mid Mid (pH 6-8) 5.35 13.2 -62.06 1 5 1 53 446.498 5

Activity (Go SEA)

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