UCSF

ZINC42897646

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.33 4.27 -43.42 4 4 1 66 265.377 8
Mid Mid (pH 6-8) 2.33 3.93 -8.38 3 4 0 64 264.369 8

Activity (Go SEA)

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