UCSF

ZINC21799387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 2.54 3.04 -54.23 2 6 -1 102 358.193 4
Hi High (pH 8-9.5) 2.54 3.11 -97.61 1 6 -2 104 357.185 4

Activity (Go SEA)

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