UCSF

ZINC22455532

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 20 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) 1.90 7.4 -127.5 3 5 2 51 285.432 6
Mid Mid (pH 6-8) 1.91 6.25 -41.32 2 5 1 46 284.424 6

Activity (Go SEA)

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