UCSF

ZINC34670578

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 3.96 7.95 -8.22 0 3 0 22 333.378 5
Lo Low (pH 4.5-6) 3.96 10.22 -47.25 1 3 1 23 334.386 5

Activity (Go SEA)

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