UCSF

ZINC21813157

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.67 8.15 -10.55 2 3 0 49 277.323 2
Hi High (pH 8-9.5) 4.67 9 -58.12 1 3 -1 52 276.315 2

Activity (Go SEA)

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