UCSF

ZINC31893770

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 12 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) 1.85 0.97 -11.92 3 3 0 59 180.232 0
Hi High (pH 8-9.5) 1.85 1.75 -48.78 2 3 -1 62 179.224 0

Activity (Go SEA)

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