UCSF

ZINC36359719

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 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) 2.30 6.4 -12.4 1 5 0 63 324.771 2
Ref Reference (pH 7) 2.11 9.03 -12.92 1 5 0 60 324.771 2
Lo Low (pH 4.5-6) 2.30 6.89 -38.85 2 5 1 65 325.779 2
Lo Low (pH 4.5-6) 2.30 6.86 -37.12 2 5 1 65 325.779 2
Lo Low (pH 4.5-6) 2.11 9.54 -39.35 2 5 1 61 325.779 2

Activity (Go SEA)

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