UCSF

ZINC37041771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.65 2.21 -47.53 3 5 1 66 258.367 2
Mid Mid (pH 6-8) -0.65 1.05 -16.95 2 5 0 61 257.359 2

Activity (Go SEA)

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