UCSF

ZINC08845298

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 Yes

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) 6.04 11.79 -13.99 2 6 0 78 467.569 9
Mid Mid (pH 6-8) 6.04 12.55 -53.81 1 6 -1 81 466.561 9

Activity (Go SEA)

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