UCSF

ZINC21998387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 19 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) 2.01 6.96 -160.85 0 5 -2 97 260.245 2
Lo Low (pH 4.5-6) 2.01 5.85 -85.35 1 5 -1 94 261.253 2

Activity (Go SEA)

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