UCSF

ZINC06797191

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 2.59 7.44 -21.9 1 8 0 87 376.372 4
Lo Low (pH 4.5-6) 2.59 7.62 -55.19 2 8 1 88 377.38 4

Activity (Go SEA)

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