UCSF

ZINC43899008

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 1.36 2.58 -37.76 2 5 1 48 285.408 3
Lo Low (pH 4.5-6) 1.36 4.61 -109.76 3 5 2 49 286.416 3

Activity (Go SEA)

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