UCSF

ZINC00808106

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) 1.04 -1.45 -17.57 2 7 0 98 329.308 5
Mid Mid (pH 6-8) 0.45 -1.55 -24.92 1 7 0 94 329.308 5

Activity (Go SEA)

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