UCSF

ZINC31963770

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) 1.06 2.67 -52.41 4 4 1 70 226.325 2
Hi High (pH 8-9.5) 1.62 1.5 -7.96 3 4 0 71 225.317 1
Mid Mid (pH 6-8) 0.88 1.41 -46.73 3 4 0 76 225.317 2

Activity (Go SEA)

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