UCSF

ZINC33753464

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 28 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) 5.34 10.88 -45.21 3 3 1 46 374.504 8
Hi High (pH 8-9.5) 5.34 9.36 -7.75 2 3 0 41 373.496 8

Activity (Go SEA)

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