UCSF

ZINC43258711

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 15 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) 2.64 3.22 -41.18 3 2 1 31 292.266 4
Hi High (pH 8-9.5) 2.63 4.93 -31.54 3 2 1 30 292.266 4
Hi High (pH 8-9.5) 2.64 2.9 -1.17 2 2 0 29 291.258 4
Lo Low (pH 4.5-6) 2.64 5.22 -109.74 4 2 2 32 293.274 4

Activity (Go SEA)

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