UCSF

ZINC16732714

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 2.22 9.02 -65.91 1 7 0 78 415.544 3
Mid Mid (pH 6-8) 2.22 6.64 -55.17 0 7 -1 77 414.536 3

Activity (Go SEA)

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