UCSF

ZINC35500614

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 17 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) 1.94 4.84 -53.2 3 4 1 63 235.307 5
Hi High (pH 8-9.5) 2.39 2.2 -74.79 2 4 0 66 234.299 5

Activity (Go SEA)

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