UCSF

ZINC44687633

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.78 6.75 -40.74 2 3 1 29 275.416 6
Hi High (pH 8-9.5) 2.78 5.57 -3.48 1 3 0 24 274.408 6
Lo Low (pH 4.5-6) 2.78 7.92 -32.67 2 3 1 26 275.416 6

Activity (Go SEA)

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