UCSF

ZINC62039725

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 26 Yes

Popular Name: N-[4-(4-pyridylmethyl)phenyl]BLAHamine N-[4-(4-pyridylmethyl)phenyl]BLA…

Find On: PubMed — Wikipedia — Google

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) 4.74 12.71 -11.3 1 4 0 51 358.47 4 ↓
Lo Low (pH 4.5-6) 4.74 13.17 -41.01 2 4 1 52 359.478 4 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.