UCSF

ZINC48235966

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 22 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) 2.12 7.67 -80.49 2 4 0 46 313.426 4
Mid Mid (pH 6-8) 1.40 8.01 -71.17 3 4 1 49 314.434 4

Activity (Go SEA)

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