UCSF

ZINC49767948

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 37 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) 9.43 21.92 -67.79 2 2 2 9 516.943 16
Hi High (pH 8-9.5) 9.43 20.9 -29.71 1 2 1 8 515.935 16

Activity (Go SEA)

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