UCSF

ZINC20231112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 38 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) 5.40 14.62 -68.27 1 6 0 74 516.613 11
Hi High (pH 8-9.5) 5.40 12.29 -57.63 0 6 -1 73 515.605 11

Activity (Go SEA)

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