UCSF

ZINC43284999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 16 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) 2.15 4.35 -46.43 3 2 1 31 322.317 3
Hi High (pH 8-9.5) 2.15 4.03 -2.54 2 2 0 29 321.309 3

Activity (Go SEA)

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