UCSF

ZINC36878597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.52 8.82 -59.22 1 4 -1 69 288.367 5
Lo Low (pH 4.5-6) 2.52 6.46 -7.65 2 4 0 66 289.375 5

Activity (Go SEA)

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