UCSF

ZINC35698587

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 0.17 3.61 -51.49 0 5 -1 61 268.343 2
Mid Mid (pH 6-8) -0.29 4.99 -18.12 1 5 0 58 269.351 2

Activity (Go SEA)

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