UCSF

ZINC31975475

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 3.61 7.58 -51.68 3 3 1 45 317.21 2
Hi High (pH 8-9.5) 3.61 7.19 -9.1 2 3 0 43 316.202 2
Lo Low (pH 4.5-6) 3.61 8 -103.08 4 3 2 46 318.218 2

Activity (Go SEA)

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