UCSF

ZINC01290383

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 28 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) 5.50 10.64 -16.58 1 5 0 66 415.584 8
Mid Mid (pH 6-8) 5.96 9.4 -48.28 0 5 -1 69 414.576 8

Activity (Go SEA)

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