UCSF

ZINC12733772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 25 No

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) 2.97 8.94 -27.33 1 8 0 106 377.813 4
Mid Mid (pH 6-8) 2.97 9.26 -49.45 2 8 1 107 378.821 4

Activity (Go SEA)

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