UCSF

ZINC20166812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 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) 2.06 7.62 -60.09 0 7 -1 86 434.516 7
Mid Mid (pH 6-8) 2.06 9.95 -73.93 1 7 0 87 435.524 7

Activity (Go SEA)

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