UCSF

ZINC16388807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 15 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) -0.08 -1.07 -15.47 2 5 0 61 213.281 3
Mid Mid (pH 6-8) -0.08 1.19 -40.93 3 5 1 63 214.289 3

Activity (Go SEA)

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