UCSF

ZINC19261545

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 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) -0.66 1.23 -48.36 3 5 1 59 267.349 5
Hi High (pH 8-9.5) -0.66 0.9 -6.12 2 5 0 57 266.341 5
Lo Low (pH 4.5-6) -0.66 3.17 -134.36 4 5 2 60 268.357 5

Activity (Go SEA)

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