UCSF

ZINC20449601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 33 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) 3.97 11.32 -11.62 1 5 0 53 459.615 5
Mid Mid (pH 6-8) 3.97 13.64 -54.87 2 5 1 54 460.623 5

Activity (Go SEA)

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