UCSF

ZINC20219798

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) 3.29 12.03 -71.64 1 8 0 91 476.577 10
Lo Low (pH 4.5-6) 3.29 11.21 -51.21 2 8 1 89 477.585 10

Activity (Go SEA)

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