UCSF

ZINC41514735

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.03 10.71 -41.55 2 5 1 60 389.475 7
Hi High (pH 8-9.5) 5.03 11.27 -24.47 1 5 0 63 388.467 7
Hi High (pH 8-9.5) 5.03 8.91 -45.43 0 5 -1 62 387.459 7
Mid Mid (pH 6-8) 5.03 8.35 -13.48 1 5 0 59 388.467 7

Activity (Go SEA)

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