UCSF

ZINC20228156

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) 1.80 8.41 -77.08 1 8 0 96 428.485 9
Lo Low (pH 4.5-6) 1.80 7.6 -52.31 2 8 1 94 429.493 9

Activity (Go SEA)

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