UCSF

ZINC11995056

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 25 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) 6.10 10.29 -9.96 1 4 0 50 355.507 3
Lo Low (pH 4.5-6) 5.17 10.52 -26.26 2 4 1 48 356.515 4

Activity (Go SEA)

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