UCSF

ZINC09174104

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 37 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) 6.75 14.14 -59.3 0 6 -1 83 511.623 7
Mid Mid (pH 6-8) 7.19 0.48 -19.5 1 6 0 79 512.631 6

Activity (Go SEA)

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