UCSF

ZINC16956912

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 26 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) 4.15 9.92 -58.31 0 4 -1 60 366.824 5
Mid Mid (pH 6-8) 3.57 10.25 -10.47 0 4 0 54 367.832 5
Mid Mid (pH 6-8) 4.60 9.64 -10.73 1 4 0 58 367.832 4

Activity (Go SEA)

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