UCSF

ZINC34849970

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 3.73 7.6 -62.73 4 7 1 101 508.664 9
Hi High (pH 8-9.5) 3.73 6.26 -16.48 3 7 0 97 507.656 9

Activity (Go SEA)

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