UCSF

ZINC21664290

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 2.15 6.16 -54.31 3 7 1 86 443.593 5
Hi High (pH 8-9.5) 2.15 6.23 -72.95 2 7 0 88 442.585 5
Hi High (pH 8-9.5) 2.15 4.74 -15.07 2 7 0 82 442.585 5

Activity (Go SEA)

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