UCSF

ZINC32067033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) 0.07 2.9 -31.47 2 6 1 55 302.439 9
Hi High (pH 8-9.5) 0.07 0.96 -10.49 1 6 0 54 301.431 9
Mid Mid (pH 6-8) 0.07 4.28 -92.26 3 6 2 60 303.447 9

Activity (Go SEA)

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