UCSF

ZINC15986402

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 20 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) 2.17 3.64 -16.74 2 5 0 74 292.36 5
Mid Mid (pH 6-8) 2.17 3.69 -39.99 1 5 -1 72 291.352 5

Activity (Go SEA)

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