UCSF

ZINC32232830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.76 8.02 -39.52 2 4 1 35 315.437 8
Mid Mid (pH 6-8) 2.75 7.16 -6.62 1 4 0 34 314.429 8
Mid Mid (pH 6-8) 2.75 7.46 -47.85 2 4 1 38 315.437 8
Lo Low (pH 4.5-6) 2.76 9.28 -139.66 3 4 2 40 316.445 8

Activity (Go SEA)

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