UCSF

ZINC32099626

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 15 Yes

Other Names:

MFCD09787862

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) 2.39 5.91 -48.91 0 3 -1 53 200.217 2
Lo Low (pH 4.5-6) 2.39 6.33 -40.77 1 3 0 54 201.225 2

Activity (Go SEA)

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