UCSF

ZINC19258385

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 17 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) 0.06 1.99 -52.88 3 4 1 53 236.339 3
Lo Low (pH 4.5-6) 0.06 2.43 -101.82 4 4 2 54 237.347 3

Activity (Go SEA)

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