UCSF

ZINC07745823

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2006 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) 3.91 6 -9.37 1 3 0 46 331.821 4
Mid Mid (pH 6-8) 3.91 6.04 -38.16 0 3 -1 48 330.813 4

Activity (Go SEA)

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