UCSF

ZINC36228124

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 0.34 5.4 -48.32 1 5 -1 93 231.231 5
Lo Low (pH 4.5-6) 0.34 3.42 -11.97 2 5 0 90 232.239 5

Activity (Go SEA)

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