UCSF

ZINC25045722

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 18 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) 1.17 4.01 -15.85 1 5 0 58 245.282 3
Hi High (pH 8-9.5) 1.17 4.91 -56.42 0 5 -1 61 244.274 3

Activity (Go SEA)

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