UCSF

ZINC02613913

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 31 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) 7.18 11.56 -48.72 0 4 -1 66 441.557 5
Mid Mid (pH 6-8) 6.72 12.8 -17.53 1 4 0 63 442.565 5

Activity (Go SEA)

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