UCSF

ZINC35304574

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 0.60 7.26 -34.54 1 3 0 45 269.169 4
Hi High (pH 8-9.5) 0.60 5.02 -41.14 0 3 -1 43 268.161 4

Activity (Go SEA)

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