UCSF

ZINC32087902

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) 3.02 1.45 -49.62 4 3 1 51 328.274 3
Hi High (pH 8-9.5) 3.02 4.41 -29.71 3 3 0 54 327.266 3
Mid Mid (pH 6-8) 3.02 4.52 -92.23 4 3 1 55 328.274 3

Activity (Go SEA)

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