UCSF

ZINC15786382

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 29 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) 3.81 9.25 -42.96 2 5 1 46 463.44 6
Mid Mid (pH 6-8) 3.81 11.58 -114.56 3 5 2 47 464.448 6
Lo Low (pH 4.5-6) 3.81 9.29 -50.66 2 5 1 46 463.44 6

Activity (Go SEA)

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