UCSF

ZINC16995979

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 18 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) -0.09 -0.56 -42.63 1 7 -1 90 251.266 2
Mid Mid (pH 6-8) -0.09 -0.58 -43.17 1 7 -1 90 251.266 2
Mid Mid (pH 6-8) -0.55 1.93 -6.42 2 7 0 87 252.274 2

Activity (Go SEA)

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