UCSF

ZINC01290376

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 34 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) 4.95 9.03 -23.58 2 7 0 93 495.626 9
Mid Mid (pH 6-8) 5.41 7.79 -52.64 1 7 -1 96 494.618 9

Activity (Go SEA)

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