UCSF

ZINC17146355

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 32 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) 2.71 6.34 -62.62 0 7 -1 82 435.5 7
Mid Mid (pH 6-8) 2.71 8.61 -73.09 1 7 0 83 436.508 7

Activity (Go SEA)

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