UCSF

ZINC19510011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 0.08 -3.92 -90.7 2 8 -2 142 267.241 7
Mid Mid (pH 6-8) 0.08 -2.15 -73.86 3 8 -1 143 268.249 7
Lo Low (pH 4.5-6) -0.45 -1.29 -18.32 4 8 0 132 269.257 7
Lo Low (pH 4.5-6) 0.08 -4.13 -41.68 4 8 0 140 269.257 7

Activity (Go SEA)

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