UCSF

ZINC45689351

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.77 7.14 -38.75 3 4 1 47 279.433 6
Hi High (pH 8-9.5) 2.77 4.67 -4.86 2 4 0 45 278.425 6

Activity (Go SEA)

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