UCSF

ZINC37832859

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.69 7.48 -47.43 0 5 -1 74 250.274 6
Lo Low (pH 4.5-6) 0.69 5.5 -9.32 1 5 0 71 251.282 6

Activity (Go SEA)

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