UCSF

ZINC01707069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 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) -0.51 3.31 -39.72 3 4 1 56 167.236 2
Lo Low (pH 4.5-6) -0.51 3.61 -94.09 4 4 2 57 168.244 2
Lo Low (pH 4.5-6) -0.51 0.01 -97 4 4 2 57 168.244 2

Activity (Go SEA)

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