UCSF

ZINC21807165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 1.81 10.82 -28.88 1 8 0 94 402.458 6
Lo Low (pH 4.5-6) 1.81 11.26 -59.62 2 8 1 95 403.466 6

Activity (Go SEA)

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