UCSF

ZINC02614419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 32 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) 6.87 13.15 -20.67 1 5 0 72 462.596 6
Mid Mid (pH 6-8) 7.33 11.92 -53.28 0 5 -1 75 461.588 6

Activity (Go SEA)

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