UCSF

ZINC19370152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 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) 0.83 4.22 -85.79 3 3 2 24 213.369 3
Lo Low (pH 4.5-6) 0.83 6.59 -193.04 4 3 3 25 214.377 3
Lo Low (pH 4.5-6) 0.83 5.19 -96.09 3 3 2 21 213.369 3

Activity (Go SEA)

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