UCSF

ZINC31947171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 2.00 6.28 -53.18 2 5 1 49 324.404 3
Hi High (pH 8-9.5) 2.00 4.85 -8.53 1 5 0 45 323.396 3

Activity (Go SEA)

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