UCSF

ZINC36132707

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.27 2.79 -60.91 1 6 -1 84 285.364 7
Lo Low (pH 4.5-6) 0.27 5.19 -77.09 2 6 0 85 286.372 7
Lo Low (pH 4.5-6) 0.27 0.39 -7.75 2 6 0 81 286.372 7

Activity (Go SEA)

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