UCSF

ZINC31993849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 No

Download: MOL2 SDF SMILES Flexibase

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) 1.39 5 -47.91 3 6 1 86 226.256 5
Hi High (pH 8-9.5) 1.39 2.41 -7.86 2 6 0 84 225.248 5

Activity (Go SEA)

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