UCSF

ZINC31284161

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 23 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) 3.77 6.07 -19.86 3 5 0 78 310.353 4
Hi High (pH 8-9.5) 3.77 7.1 -60.67 2 5 -1 81 309.345 4

Activity (Go SEA)

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