UCSF

ZINC27734325

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 31 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) 4.37 13.53 -41.53 1 6 1 60 464.007 8
Hi High (pH 8-9.5) 4.37 11.14 -11.67 0 6 0 59 462.999 8

Activity (Go SEA)

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