UCSF

ZINC37011427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.26 7.49 -51.59 1 6 1 77 265.289 4
Mid Mid (pH 6-8) 1.26 5.27 -10.11 0 6 0 75 264.281 4

Activity (Go SEA)

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