UCSF

ZINC70517785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.86 6.84 -33.6 3 3 1 46 288.411 7
Hi High (pH 8-9.5) 2.86 5.67 -4.22 2 3 0 41 287.403 7

Activity (Go SEA)

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