UCSF

ZINC37989782

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 0.00 1.76 -40.1 2 5 1 55 211.289 3
Lo Low (pH 4.5-6) 0.00 2.96 -111 3 5 2 60 212.297 3
Lo Low (pH 4.5-6) 0.00 0.57 -45.24 2 5 1 59 211.289 3

Activity (Go SEA)

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