UCSF

ZINC02540469

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

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) 2.74 4.91 -45.59 0 2 -1 26 219.211 1
Lo Low (pH 4.5-6) 2.01 5.3 -16.19 1 2 0 29 220.219 1

Activity (Go SEA)

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