UCSF

ZINC00808113

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 24 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) 1.10 -3.38 -16.66 3 7 0 108 329.308 5
Mid Mid (pH 6-8) 0.52 -3.6 -24.3 2 7 0 105 329.308 5

Activity (Go SEA)

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