UCSF

ZINC70516959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 1.99 2.05 -35.55 3 5 1 65 282.36 8
Hi High (pH 8-9.5) 1.99 0.92 -6.13 2 5 0 60 281.352 8

Activity (Go SEA)

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