UCSF

ZINC42434231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 0.33 4.59 -56.09 1 5 -1 81 252.29 3
Lo Low (pH 4.5-6) 0.33 2.07 -10.92 2 5 0 78 253.298 3

Activity (Go SEA)

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