UCSF

ZINC09185747

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 35 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) 6.17 12.8 -54.69 0 6 -1 83 503.987 5
Mid Mid (pH 6-8) 5.58 -0.38 -11.55 0 6 0 76 504.995 5
Mid Mid (pH 6-8) 6.61 12.75 -18.26 1 6 0 80 504.995 4

Activity (Go SEA)

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