UCSF

ZINC20362641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) -0.89 -0.56 -42.13 3 6 1 75 216.261 5
Hi High (pH 8-9.5) -0.89 -2.02 -8.52 2 6 0 71 215.253 5
Lo Low (pH 4.5-6) -0.89 1.62 -115.19 4 6 2 76 217.269 5

Activity (Go SEA)

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