UCSF

ZINC20190158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 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) 3.89 11.4 -70.39 1 6 0 74 485.378 9
Hi High (pH 8-9.5) 3.89 8.86 -53.89 0 6 -1 73 484.37 9

Activity (Go SEA)

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