UCSF

ZINC15679085

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 25 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) 3.04 8.91 -39.77 2 5 1 51 345.442 5
Mid Mid (pH 6-8) 3.04 9.39 -85.06 3 5 2 53 346.45 5

Activity (Go SEA)

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