UCSF

ZINC19642348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 13 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) 1.67 5.22 -30.86 1 2 1 8 183.319 1
Lo Low (pH 4.5-6) 1.67 5.43 -33.58 1 2 1 8 183.319 1

Activity (Go SEA)

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