UCSF

ZINC62973955

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 2.42 5.45 -113.53 3 4 2 34 299.503 6
Mid Mid (pH 6-8) 2.42 3.47 -33.36 2 4 1 32 298.495 6

Activity (Go SEA)

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