UCSF

ZINC32087954

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) 2.82 2.86 -47.58 4 3 1 51 328.274 3
Hi High (pH 8-9.5) 2.82 3.62 -71.99 3 3 0 54 327.266 3
Hi High (pH 8-9.5) 2.82 4.56 -45.71 3 3 0 54 327.266 3
Mid Mid (pH 6-8) 2.82 2.37 -31.56 4 3 1 51 328.274 3
Mid Mid (pH 6-8) 2.82 4.85 -127.69 4 3 1 55 328.274 3

Activity (Go SEA)

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