UCSF

ZINC40448156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 Yes

Other Names:

MFCD12404908

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) 1.20 5 -9.21 0 3 0 43 198.225 2
Lo Low (pH 4.5-6) 1.20 5.46 -40.8 1 3 1 44 199.233 2

Activity (Go SEA)

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