UCSF

ZINC66212316

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 22 Yes

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) 1.86 3.64 -14.37 3 5 0 70 297.358 6
Mid Mid (pH 6-8) 1.86 4.98 -57.89 4 5 1 75 298.366 6

Activity (Go SEA)

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