UCSF

ZINC62978035

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 2.12 6.02 -86.93 4 3 2 35 277.456 7
Hi High (pH 8-9.5) 2.12 3.9 -43.49 3 3 1 34 276.448 7
Lo Low (pH 4.5-6) 2.12 8.29 -195.92 5 3 3 37 278.464 7

Activity (Go SEA)

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