UCSF

ZINC31975668

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 2.67 5.22 -55.04 3 3 1 45 204.297 2
Hi High (pH 8-9.5) 2.67 4.87 -10 2 3 0 43 203.289 2
Mid Mid (pH 6-8) 2.67 5.62 -98.4 4 3 2 46 205.305 2

Activity (Go SEA)

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