UCSF

ZINC15769695

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 33 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) 4.78 14.17 -55.6 0 7 -1 106 439.447 6
Mid Mid (pH 6-8) 4.78 13.5 -24.55 1 7 0 103 440.455 5
Mid Mid (pH 6-8) 4.20 14.19 -19.71 0 7 0 100 440.455 6

Activity (Go SEA)

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