UCSF

ZINC48331261

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 18 No

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) 1.81 6.17 -47.5 2 5 1 70 251.306 3
Hi High (pH 8-9.5) 1.81 3.87 -7.87 1 5 0 69 250.298 3

Activity (Go SEA)

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