UCSF

ZINC17180192

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 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) 4.10 9.91 -56.99 0 4 -1 60 366.824 5
Mid Mid (pH 6-8) 3.52 10.2 -9.2 0 4 0 54 367.832 5
Mid Mid (pH 6-8) 4.10 9.87 -10.37 1 4 0 58 367.832 5

Activity (Go SEA)

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