UCSF

ZINC49659708

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 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) 3.21 4.16 -11.41 2 6 0 85 360.435 5
Mid Mid (pH 6-8) 3.21 4.21 -46.82 1 6 -1 87 359.427 5

Activity (Go SEA)

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