UCSF

ZINC45659046

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.27 3.54 -112.69 4 4 2 45 283.46 3
Hi High (pH 8-9.5) 1.27 3.34 -34.81 3 4 1 43 282.452 3
Hi High (pH 8-9.5) 1.27 0.89 -45.74 3 4 1 43 282.452 3

Activity (Go SEA)

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