UCSF

ZINC70514561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 4.02 6.59 -92.76 4 3 2 41 288.52 12
Mid Mid (pH 6-8) 4.02 6.48 -31.12 3 3 1 40 287.512 12

Activity (Go SEA)

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