UCSF

ZINC20138370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 1.86 11.71 -61.84 1 7 -1 99 473.48 6
Mid Mid (pH 6-8) 1.86 12.77 -56.22 2 7 0 103 474.488 6

Activity (Go SEA)

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