UCSF

ZINC32004840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 4.22 8.58 -82.95 4 3 2 41 341.282 6
Hi High (pH 8-9.5) 4.22 5.57 -4.97 2 3 0 38 339.266 6
Mid Mid (pH 6-8) 4.22 8.18 -37.43 3 3 1 40 340.274 6

Activity (Go SEA)

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