UCSF

ZINC58379920

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 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) 1.63 8.37 -10.28 0 4 0 46 317.392 5
Lo Low (pH 4.5-6) 1.63 9.99 -36.34 1 4 1 47 318.4 5

Activity (Go SEA)

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