UCSF

ZINC42373384

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 19 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) 3.44 5.63 -12.07 2 4 0 62 259.305 4
Hi High (pH 8-9.5) 3.44 6.63 -59.76 1 4 -1 65 258.297 4

Activity (Go SEA)

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