UCSF

ZINC44624814

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) -0.82 6.47 -46.06 2 5 0 77 228.292 8
Hi High (pH 8-9.5) -0.82 5.11 -42.87 1 5 -1 72 227.284 8

Activity (Go SEA)

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