UCSF

ZINC15779429

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 26 Yes

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) 3.33 10.01 -37.9 1 5 1 37 372.924 4
Mid Mid (pH 6-8) 3.33 7.63 -7.56 0 5 0 35 371.916 4

Activity (Go SEA)

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