UCSF

ZINC06938496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 25 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) 1.91 3.5 -42.39 2 7 -1 114 378.817 3
Mid Mid (pH 6-8) 1.91 3.51 -17.45 3 7 0 112 379.825 3

Activity (Go SEA)

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