UCSF

ZINC20764700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 4.42 9.78 -48.2 3 6 1 77 447.555 7
Mid Mid (pH 6-8) 4.42 8.73 -11.08 2 6 0 72 446.547 7

Activity (Go SEA)

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