UCSF

ZINC32048156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) -0.74 2.34 -52.1 3 6 1 79 266.321 5
Mid Mid (pH 6-8) -0.74 0.95 -10.54 2 6 0 75 265.313 5

Activity (Go SEA)

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