UCSF

ZINC41673039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 Yes

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) 2.85 4.15 -34.38 3 2 1 37 226.365 4
Hi High (pH 8-9.5) 2.85 3.06 -4.44 2 2 0 32 225.357 4

Activity (Go SEA)

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