UCSF

ZINC19820084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 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) 1.89 3.85 -20.42 2 9 0 118 458.521 5
Hi High (pH 8-9.5) 1.96 2.95 -45.8 1 9 -1 124 457.513 5

Activity (Go SEA)

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