UCSF

ZINC04014090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 23 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) 1.77 9.42 -48.5 2 6 1 70 378.25 6
Mid Mid (pH 6-8) 1.77 8.91 -19.91 1 6 0 69 377.242 6

Activity (Go SEA)

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