UCSF

ZINC38611017

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 15 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) 0.24 -0.63 -14.35 4 7 0 121 211.177 2
Mid Mid (pH 6-8) 0.24 0.13 -35.83 3 7 -1 124 210.169 2

Activity (Go SEA)

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