UCSF

ZINC33811975

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 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) -0.02 9.09 -112.33 1 9 0 116 447.542 4
Mid Mid (pH 6-8) -0.02 6.61 -64.18 0 9 -1 114 446.534 4

Activity (Go SEA)

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