UCSF

ZINC70513302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.06 4.46 -38.7 3 4 1 49 293.431 6
Hi High (pH 8-9.5) 2.06 2.64 -3.76 2 4 0 45 292.423 6
Lo Low (pH 4.5-6) 2.06 5.02 -110.78 4 4 2 51 294.439 6
Lo Low (pH 4.5-6) 2.06 4.18 -30.21 3 4 1 46 293.431 6

Activity (Go SEA)

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