UCSF

ZINC06141938

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 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) 4.99 9.39 -11.75 2 6 0 80 396.516 7
Hi High (pH 8-9.5) 4.99 9.19 -46.6 1 6 -1 78 395.508 7

Activity (Go SEA)

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