UCSF

ZINC48855152

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.17 10.25 -36.81 2 1 1 17 288.461 4
Mid Mid (pH 6-8) 5.17 8.91 -5.43 1 1 0 12 287.453 4

Activity (Go SEA)

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