UCSF

ZINC37005775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 3.09 7.72 -7.61 1 4 0 45 328.254 6
Mid Mid (pH 6-8) 3.09 8.1 -31.83 2 4 1 46 329.262 6

Activity (Go SEA)

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