UCSF

ZINC69802389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 0.86 3.02 -45.82 2 5 1 59 227.284 7
Hi High (pH 8-9.5) 0.86 3.88 -43.57 2 5 1 56 227.284 7
Mid Mid (pH 6-8) 0.86 5.34 -123.28 3 5 2 60 228.292 7

Activity (Go SEA)

Rings

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