UCSF

ZINC06786823

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 17 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) 2.29 4.37 -8.14 3 3 0 55 246.335 3
Lo Low (pH 4.5-6) 2.36 3.11 -31.68 4 3 1 60 247.343 3

Activity (Go SEA)

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