UCSF

ZINC49064890

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 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) 0.45 2.06 -17.28 2 7 0 93 293.352 6
Hi High (pH 8-9.5) 0.45 2.82 -44.39 1 7 -1 96 292.344 6

Activity (Go SEA)

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