UCSF

ZINC53127333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 0.68 0.34 -8.26 3 4 0 61 258.387 3
Mid Mid (pH 6-8) 0.68 1.54 -38.99 4 4 1 66 259.395 3

Activity (Go SEA)

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