UCSF

ZINC02613857

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 27 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) 6.73 11.15 -17.81 1 3 0 46 416.93 4
Mid Mid (pH 6-8) 7.19 9.92 -52.67 0 3 -1 49 415.922 4

Activity (Go SEA)

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