UCSF

ZINC32086592

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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) 0.41 -1.01 -45.19 4 6 1 73 324.445 8
Mid Mid (pH 6-8) 0.41 1.37 -116.28 5 6 2 74 325.453 8
Mid Mid (pH 6-8) 0.41 0.88 -119.83 5 6 2 74 325.453 8

Activity (Go SEA)

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