UCSF

ZINC35503285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 20 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) 3.11 7.22 -45.49 3 3 1 46 287.408 3
Hi High (pH 8-9.5) 3.11 6.02 -7.56 2 3 0 41 286.4 3

Activity (Go SEA)

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