UCSF

ZINC09526109

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 29 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) 3.08 7.74 -16.85 1 6 0 76 410.495 7
Hi High (pH 8-9.5) 3.08 7.75 -58.2 0 6 -1 78 409.487 7

Activity (Go SEA)

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