UCSF

ZINC31910180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.87 9.62 -39.32 3 4 1 48 301.458 3
Hi High (pH 8-9.5) 3.87 8.02 -9.81 2 4 0 47 300.45 3
Mid Mid (pH 6-8) 3.87 10.01 -84.71 4 4 2 49 302.466 3

Activity (Go SEA)

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