UCSF

ZINC52341452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 2.10 8.86 -12.74 1 3 0 34 211.334 2
Mid Mid (pH 6-8) 2.83 8.93 -46.53 0 3 -1 31 210.326 2

Activity (Go SEA)

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