UCSF

ZINC70514766

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) 2.22 2.97 -38.92 3 4 1 49 293.431 6
Hi High (pH 8-9.5) 2.22 2.04 -3.95 2 4 0 45 292.423 6
Lo Low (pH 4.5-6) 2.22 4.67 -114.96 4 4 2 51 294.439 6
Lo Low (pH 4.5-6) 2.22 3.67 -33.33 3 4 1 46 293.431 6

Activity (Go SEA)

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