UCSF

ZINC19999673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 3.95 10.87 -126.41 3 2 2 21 276.468 8
Hi High (pH 8-9.5) 3.95 8.76 -39.04 2 2 1 20 275.46 8

Activity (Go SEA)

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