UCSF

ZINC34299915

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 27 No

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) -0.62 2.84 -62.69 3 10 -1 150 428.497 6
Hi High (pH 8-9.5) -0.62 3.37 -136.48 3 10 -2 150 427.489 6

Activity (Go SEA)

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