UCSF

ZINC06962213

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 23 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) 4.54 6.71 -8.7 2 4 0 58 308.381 4
Mid Mid (pH 6-8) 4.55 7.55 -44.33 1 4 -1 61 307.373 4

Activity (Go SEA)

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