UCSF

ZINC16122348

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 28 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) 4.21 6.04 -12.99 1 6 0 84 442.99 5
Hi High (pH 8-9.5) 4.21 6.13 -43.84 0 6 -1 86 441.982 5

Activity (Go SEA)

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