UCSF

ZINC04015783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 26 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) 3.41 10.1 -49.05 2 5 1 56 353.442 2
Mid Mid (pH 6-8) 3.41 8.03 -9.4 1 5 0 55 352.434 2

Activity (Go SEA)

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