UCSF

ZINC42373100

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 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) 2.41 3.11 -8.35 2 4 0 63 274.411 6
Lo Low (pH 4.5-6) 2.41 2.96 -53.9 3 4 1 65 275.419 6

Activity (Go SEA)

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