UCSF

ZINC34601521

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 7.19 8.54 -5.61 2 2 0 40 326.48 4
Hi High (pH 8-9.5) 7.19 9.3 -46.61 1 2 -1 43 325.472 4

Activity (Go SEA)

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