UCSF

ZINC15453828

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 26 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) 4.73 9.48 -15.1 0 3 0 47 359.45 3
Lo Low (pH 4.5-6) 4.73 9.68 -36.17 1 3 1 48 360.458 3

Activity (Go SEA)

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