UCSF

ZINC06706907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 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) 3.11 6 -53.99 0 5 -1 74 293.368 3
Lo Low (pH 4.5-6) 3.11 6.05 -12.61 1 5 0 72 294.376 3

Activity (Go SEA)

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