UCSF

ZINC35085912

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 29 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) -0.40 9.25 -36.71 3 6 1 68 436.363 6
Mid Mid (pH 6-8) -0.40 11.52 -107.75 4 6 2 69 437.371 6

Activity (Go SEA)

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