UCSF

ZINC40698219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 31 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) 2.53 7.32 -72.93 3 7 0 102 443.569 12
Hi High (pH 8-9.5) 2.53 5.98 -45.8 2 7 -1 97 442.561 12

Activity (Go SEA)

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