UCSF

ZINC02614435

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 30 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) 7.47 12.98 -17.96 1 3 0 46 456.995 4
Mid Mid (pH 6-8) 7.92 11.75 -53.59 0 3 -1 49 455.987 4

Activity (Go SEA)

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