UCSF

ZINC20102122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 34 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) 3.57 13.19 -49.74 1 7 0 83 464.562 10
Ref Reference (pH 7) 3.57 12.68 -54.51 1 7 0 83 464.562 11
Hi High (pH 8-9.5) 3.57 9.3 -60.34 0 7 -1 82 463.554 11
Hi High (pH 8-9.5) 3.57 8.62 -45.06 0 7 -1 82 463.554 10

Activity (Go SEA)

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