UCSF

ZINC06938791

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 26 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) 2.05 5.24 -18.19 1 7 0 90 377.397 3
Mid Mid (pH 6-8) 2.05 5.66 -39.83 0 7 -1 92 376.389 3

Activity (Go SEA)

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