UCSF

ZINC13860024

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 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) -0.40 3.47 -12.33 3 8 0 108 250.262 6
Lo Low (pH 4.5-6) -0.40 5.04 -111.59 5 8 2 114 252.278 6
Lo Low (pH 4.5-6) -0.40 0.64 -99.03 5 8 2 114 252.278 6

Activity (Go SEA)

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