UCSF

ZINC36871712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -0.17 1.5 -45.24 4 4 1 70 208.285 4
Hi High (pH 8-9.5) -0.17 1.17 -8.73 3 4 0 68 207.277 4
Lo Low (pH 4.5-6) -0.17 1.96 -91.42 5 4 2 71 209.293 4

Activity (Go SEA)

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