UCSF

ZINC19869492

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) -0.52 1.25 -15.14 2 6 0 67 251.334 2
Mid Mid (pH 6-8) -0.52 3.66 -53.91 3 6 1 69 252.342 2

Activity (Go SEA)

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