UCSF

ZINC06615626

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 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) 5.93 12.69 -9.18 0 2 0 37 406.379 5
Lo Low (pH 4.5-6) 5.93 12.87 -41.21 1 2 1 38 407.387 5

Activity (Go SEA)

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