UCSF

ZINC36836697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) -1.64 0.06 -111.22 1 8 -2 127 267.241 6
Lo Low (pH 4.5-6) -1.64 -0.66 -64.27 2 8 -1 124 268.249 6

Activity (Go SEA)

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