UCSF

ZINC36873855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.67 3.55 -45.23 4 5 1 75 276.36 6
Hi High (pH 8-9.5) 0.67 3.56 -10 3 5 0 73 275.352 6
Lo Low (pH 4.5-6) 0.67 4.19 -114.12 5 5 2 76 277.368 6

Activity (Go SEA)

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