UCSF

ZINC37836003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.74 7.94 -48.69 0 5 -1 84 261.301 5
Lo Low (pH 4.5-6) 0.74 5.78 -11.81 1 5 0 81 262.309 5

Activity (Go SEA)

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