UCSF

ZINC21183722

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 23 Yes

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) 4.08 9.42 -13.1 1 3 0 42 310.441 7
Lo Low (pH 4.5-6) 4.08 9.79 -38.82 2 3 1 43 311.449 7

Activity (Go SEA)

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