UCSF

ZINC51490287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 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) 2.98 9.85 -42.82 2 4 1 47 281.383 4
Hi High (pH 8-9.5) 2.98 8.22 -11.11 1 4 0 43 280.375 4
Lo Low (pH 4.5-6) 2.98 10.33 -100.69 3 4 2 49 282.391 4

Activity (Go SEA)

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