UCSF

ZINC44686947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.03 5.69 -32.85 2 5 1 56 265.333 6
Hi High (pH 8-9.5) 1.03 3.34 -6.37 1 5 0 55 264.325 6
Lo Low (pH 4.5-6) 1.03 4.57 -36.79 2 5 1 59 265.333 6

Activity (Go SEA)

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