UCSF

ZINC34525784

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 No

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) 2.86 9.24 -11.57 4 5 0 86 326.787 3
Hi High (pH 8-9.5) 2.86 9.27 -36.62 3 5 -1 84 325.779 3

Activity (Go SEA)

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