UCSF

ZINC19618465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 3.92 4.93 -19.21 2 5 0 71 326.377 4
Mid Mid (pH 6-8) 3.92 4.46 -53.5 1 5 -1 74 325.369 4

Activity (Go SEA)

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