UCSF

ZINC31994440

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 1.58 5.79 -96.8 3 2 2 21 184.327 2
Hi High (pH 8-9.5) 1.58 3.56 -39.82 2 2 1 20 183.319 2
Hi High (pH 8-9.5) 1.58 4.37 -32.23 2 2 1 16 183.319 2

Activity (Go SEA)

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