UCSF

ZINC29037853

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 25 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) 4.37 8.76 -59.36 1 6 -1 83 331.355 3
Lo Low (pH 4.5-6) 4.37 9.16 -68.92 2 6 0 84 332.363 3

Activity (Go SEA)

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