UCSF

ZINC35725413

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 4.28 8.74 -18.72 1 7 0 92 456.593 5
Hi High (pH 8-9.5) 4.47 7.19 -46.51 0 7 -1 99 455.585 5

Activity (Go SEA)

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