UCSF

ZINC43260616

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.22 1.23 -61.24 3 4 1 65 354.315 3
Hi High (pH 8-9.5) 1.22 0.85 -11.52 2 4 0 63 353.307 3

Activity (Go SEA)

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