UCSF

ZINC53160332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 0.87 3.02 -8.14 1 5 0 72 256.62 2
Mid Mid (pH 6-8) 1.33 0.36 -33.89 0 5 -1 75 255.612 2

Activity (Go SEA)

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