UCSF

ZINC37796785

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.21 7.29 -73.9 2 5 0 74 282.384 5
Lo Low (pH 4.5-6) 1.21 5.38 -41.32 3 5 1 71 283.392 5

Activity (Go SEA)

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