UCSF

ZINC04198567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 19 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) 3.63 9.64 -8.83 1 3 0 34 277.368 2
Mid Mid (pH 6-8) 4.36 9.79 -44.24 0 3 -1 31 276.36 2

Activity (Go SEA)

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