UCSF

ZINC20207545

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 26 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) 4.01 9.98 -111.3 4 3 2 35 351.538 4
Hi High (pH 8-9.5) 4.01 7.63 -48.63 3 3 1 34 350.53 4

Activity (Go SEA)

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