UCSF

ZINC49755152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 23 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) 3.72 8.89 -17.86 1 4 0 46 307.397 3
Mid Mid (pH 6-8) 3.72 9.37 -27.98 2 4 1 48 308.405 3

Activity (Go SEA)

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