UCSF

ZINC01290991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 25 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) 3.86 5.55 -18.45 3 5 0 89 371.487 4
Mid Mid (pH 6-8) 4.32 4.31 -48.93 2 5 -1 92 370.479 4

Activity (Go SEA)

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