UCSF

ZINC02614430

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 29 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) 7.12 13.04 -16.22 1 3 0 46 418.587 4
Mid Mid (pH 6-8) 7.58 11.81 -49.73 0 3 -1 49 417.579 4

Activity (Go SEA)

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