UCSF

ZINC06797252

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 24 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) 1.93 6.54 -19.97 1 7 0 78 328.372 7
Lo Low (pH 4.5-6) 1.93 6.73 -50.98 2 7 1 79 329.38 7

Activity (Go SEA)

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