UCSF

ZINC34679157

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 5.98 17.86 -10.22 1 7 0 65 505.066 5
Lo Low (pH 4.5-6) 5.98 18.2 -33.31 2 7 1 66 506.074 5
Lo Low (pH 4.5-6) 5.98 18.18 -35.06 2 7 1 66 506.074 5

Activity (Go SEA)

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