UCSF

ZINC58167364

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 18 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) 1.64 5.79 -10.36 1 4 0 42 250.342 6
Lo Low (pH 4.5-6) 1.64 6.56 -25.25 2 4 0 43 251.35 6

Activity (Go SEA)

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