UCSF

ZINC37174364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.22 7.67 -48.69 0 4 -1 60 268.358 3
Lo Low (pH 4.5-6) 1.22 5.63 -8.49 1 4 0 58 269.366 3

Activity (Go SEA)

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