UCSF

ZINC20189730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 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) 3.41 10.28 -70.97 1 8 0 93 482.577 12
Hi High (pH 8-9.5) 3.41 7.94 -60.44 0 8 -1 91 481.569 12

Activity (Go SEA)

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