UCSF

ZINC01319896

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 14 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) 0.44 3.36 -29.97 2 4 1 51 200.258 2
Hi High (pH 8-9.5) 0.44 2.02 -6.12 1 4 0 50 199.25 2

Activity (Go SEA)

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