UCSF

ZINC34593212

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 5.04 12.49 -35.55 1 1 1 4 280.435 5
Hi High (pH 8-9.5) 5.04 10.77 -2.32 0 1 0 3 279.427 5

Activity (Go SEA)

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