UCSF

ZINC31963333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) -0.53 1.3 -59.25 4 5 1 83 215.302 5
Hi High (pH 8-9.5) -0.35 0.23 -63.62 3 5 0 89 214.294 5

Activity (Go SEA)

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