UCSF

ZINC35135287

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.89 9.1 -61.65 1 4 -1 69 292.33 4
Lo Low (pH 4.5-6) 2.89 7.06 -13.79 2 4 0 66 293.338 4

Activity (Go SEA)

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