UCSF

ZINC31958952

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.72 5.64 -63.17 4 5 1 74 281.339 3
Mid Mid (pH 6-8) 1.72 6.04 -94.74 5 5 2 75 282.347 3
Mid Mid (pH 6-8) 1.72 5.25 -18.21 3 5 0 72 280.331 3

Activity (Go SEA)

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