UCSF

ZINC37460897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 0.18 6.86 -69.02 1 5 0 65 226.276 2
Lo Low (pH 4.5-6) 0.18 4.91 -47.49 2 5 1 62 227.284 2

Activity (Go SEA)

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