UCSF

ZINC37017722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 No

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) -0.12 0.82 -40.89 4 5 1 75 246.356 5
Mid Mid (pH 6-8) -0.12 -0.55 -7.97 3 5 0 70 245.348 5

Activity (Go SEA)

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