UCSF

ZINC06715900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 22 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) 2.87 7.95 -10.93 1 4 0 51 298.386 6
Lo Low (pH 4.5-6) 2.87 8.23 -43.77 2 4 1 52 299.394 6

Activity (Go SEA)

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