UCSF

ZINC20188298

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) 2.15 8.63 -78.7 1 9 0 102 484.549 11
Lo Low (pH 4.5-6) 2.15 7.81 -54.17 2 9 1 99 485.557 11

Activity (Go SEA)

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