UCSF

ZINC12801684

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 35 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) 1.72 10.23 -21.45 1 9 0 104 492.557 9
Mid Mid (pH 6-8) 1.72 10.73 -50.79 2 9 1 106 493.565 9

Activity (Go SEA)

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