UCSF

ZINC22286984

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 26 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 5.83 -9.5 1 6 0 69 348.406 3
Hi High (pH 8-9.5) 2.61 5.01 -41.24 0 6 -1 72 347.398 3

Activity (Go SEA)

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