UCSF

ZINC21300118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 0.17 7.11 -54.96 0 4 -1 62 270.186 2
Lo Low (pH 4.5-6) 0.17 6.02 -41.45 1 4 0 65 271.194 2

Activity (Go SEA)

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