UCSF

ZINC02648577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 25 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) 5.76 9.2 -6.86 1 2 0 29 367.333 4
Hi High (pH 8-9.5) 5.83 6.63 -2.77 1 2 0 33 367.333 4

Activity (Go SEA)

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