UCSF

ZINC37340129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.35 4.37 -11.59 0 4 0 39 281.327 5
Lo Low (pH 4.5-6) 2.35 6.46 -45.9 1 4 1 40 282.335 5

Activity (Go SEA)

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