UCSF

ZINC01440600

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 17 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) 3.77 5.61 -11.35 2 3 0 49 227.263 2
Hi High (pH 8-9.5) 3.77 6.62 -56.88 1 3 -1 52 226.255 2

Activity (Go SEA)

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