UCSF

ZINC52275766

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 1.39 6.56 -58.66 1 4 -1 69 224.28 4
Mid Mid (pH 6-8) 1.39 4.09 -13.42 2 4 0 66 225.288 4

Activity (Go SEA)

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