UCSF

ZINC37846592

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.32 4.89 -44.41 3 3 1 40 263.405 5
Lo Low (pH 4.5-6) 2.32 6.8 -112.26 4 3 2 41 264.413 5

Activity (Go SEA)

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