UCSF

ZINC19486953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 0.41 2.95 -53.56 4 4 1 70 236.339 8
Lo Low (pH 4.5-6) 0.41 3.32 -88.12 5 4 2 71 237.347 8

Activity (Go SEA)

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