UCSF

ZINC25450127

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 4.23 8.6 -18.8 2 5 0 71 332.473 7
Hi High (pH 8-9.5) 4.23 8.45 -45.17 1 5 -1 69 331.465 7

Activity (Go SEA)

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