UCSF

ZINC35500900

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 18 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) 3.07 6.6 -41.71 2 3 1 35 313.215 3
Hi High (pH 8-9.5) 3.07 5.73 -4.17 1 3 0 30 312.207 3

Activity (Go SEA)

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