UCSF

ZINC31910247

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) 2.62 7.29 -45.67 3 5 1 51 302.446 3
Mid Mid (pH 6-8) 2.62 4.82 -10.22 2 5 0 50 301.438 3
Mid Mid (pH 6-8) 2.62 6.46 -38.76 3 5 1 51 302.446 3
Mid Mid (pH 6-8) 2.62 7.69 -76.53 4 5 2 52 303.454 3

Activity (Go SEA)

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