UCSF

ZINC49412263

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.48 8.25 -8.5 0 3 0 24 344.524 3
Mid Mid (pH 6-8) 3.48 10.5 -50.62 1 3 1 25 345.532 3

Activity (Go SEA)

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