UCSF

ZINC08277346

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2006 28 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) 6.35 11.48 -43.77 0 4 -1 53 407.902 4
Mid Mid (pH 6-8) 6.35 11.77 -16.62 1 4 0 51 408.91 4

Activity (Go SEA)

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