UCSF

ZINC53297465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 19 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) -0.52 4.34 -40.76 2 5 -1 81 257.248 1
Mid Mid (pH 6-8) 0.28 5.13 -15.86 3 5 0 77 258.256 1

Activity (Go SEA)

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