UCSF

ZINC60707855

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 21 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) 4.16 9.87 -45.27 2 2 1 29 283.439 6
Lo Low (pH 4.5-6) 4.16 10.34 -100.03 3 2 2 31 284.447 6

Activity (Go SEA)

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