UCSF

ZINC36829018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) -0.55 -2.06 -17.21 2 7 0 99 259.287 4
Hi High (pH 8-9.5) -0.09 -4 -56.54 1 7 -1 102 258.279 4

Activity (Go SEA)

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