UCSF

ZINC16732873

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 39 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) 5.28 11.86 -64.62 0 8 -1 97 536.645 14
Mid Mid (pH 6-8) 5.72 11.33 -26.9 1 8 0 95 537.653 13
Mid Mid (pH 6-8) 4.69 12.3 -19.07 0 8 0 91 537.653 14

Activity (Go SEA)

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