UCSF

ZINC32050329

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 20 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) -0.05 4.55 -91.59 3 5 2 45 284.448 5
Hi High (pH 8-9.5) -0.05 3.33 -40.87 2 5 1 40 283.44 5
Mid Mid (pH 6-8) -0.05 3.33 -42.69 2 5 1 40 283.44 5
Mid Mid (pH 6-8) -0.05 4.62 -95.56 3 5 2 45 284.448 5
Lo Low (pH 4.5-6) -0.05 7.04 -170.4 4 5 3 46 285.456 5

Activity (Go SEA)

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