UCSF

ZINC35204500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 1.97 0.29 -8.72 3 4 0 70 229.663 3
Hi High (pH 8-9.5) 1.97 1.29 -49.59 2 4 -1 72 228.655 3

Activity (Go SEA)

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