UCSF

ZINC43424623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 2.31 4.34 -44.51 3 3 1 40 267.437 3
Lo Low (pH 4.5-6) 2.31 5.69 -116.39 4 3 2 41 268.445 3

Activity (Go SEA)

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