UCSF

ZINC41664028

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) 4.76 10.4 -17.4 0 7 0 82 445.471 3
Mid Mid (pH 6-8) 4.76 13.4 -48.08 1 7 1 83 446.479 3

Activity (Go SEA)

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