UCSF

ZINC36332281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 No

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) -0.15 4.5 -28.45 1 8 0 110 274.302 3
Lo Low (pH 4.5-6) -0.15 4.97 -60.73 2 8 1 111 275.31 3

Activity (Go SEA)

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