UCSF

ZINC25149887

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 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) 1.96 7.2 -58.29 1 9 -1 122 466.543 8
Mid Mid (pH 6-8) 1.51 8.99 -16.45 2 9 0 119 467.551 8

Activity (Go SEA)

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