UCSF

ZINC15937424

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 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) 3.71 11.93 -36.58 2 6 1 58 387.548 10
Mid Mid (pH 6-8) 3.71 13.81 -92.78 3 6 2 60 388.556 11
Lo Low (pH 4.5-6) 3.71 12.8 -96.65 3 6 2 60 388.556 10

Activity (Go SEA)

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