UCSF

ZINC20684462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 27 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) 0.81 -0.78 -11.62 1 8 0 86 402.561 6
Mid Mid (pH 6-8) 0.81 1.49 -43.7 2 8 1 87 403.569 6

Activity (Go SEA)

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