UCSF

ZINC15840595

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 22 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) 3.73 6.88 -15.95 1 4 0 51 312.756 3
Lo Low (pH 4.5-6) 3.80 5.89 -30.46 2 4 1 56 313.764 3

Activity (Go SEA)

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