UCSF

ZINC21793610

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 23 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) 1.82 7.09 -11.97 0 6 0 53 317.437 4
Lo Low (pH 4.5-6) 1.82 7.27 -36.18 1 6 1 54 318.445 4
Lo Low (pH 4.5-6) 1.82 7.35 -36.18 1 6 1 54 318.445 4

Activity (Go SEA)

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