UCSF

ZINC32115847

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 2.65 6.24 -6.89 0 3 0 30 267.756 4
Mid Mid (pH 6-8) 2.65 8.56 -48.78 1 3 1 31 268.764 4

Activity (Go SEA)

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