UCSF

ZINC50165370

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 18 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) 3.34 9.49 -9.32 1 3 0 38 262.378 4
Mid Mid (pH 6-8) 4.07 9.21 -39.31 0 3 -1 35 261.37 4

Activity (Go SEA)

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