UCSF

ZINC32087157

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 24 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) 2.22 7.69 -112.19 4 4 2 45 327.472 6
Mid Mid (pH 6-8) 2.22 5.21 -41.67 3 4 1 43 326.464 6

Activity (Go SEA)

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