UCSF

ZINC31975602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 2.27 6.14 -61.13 3 4 1 54 268.34 3
Hi High (pH 8-9.5) 2.27 5.8 -14.81 2 4 0 53 267.332 3
Mid Mid (pH 6-8) 2.27 6.54 -103.72 4 4 2 55 269.348 3

Activity (Go SEA)

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