UCSF

ZINC15935587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 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) 2.08 7.65 -16.8 0 7 0 63 353.426 4
Mid Mid (pH 6-8) 2.08 9.87 -50.09 1 7 1 64 354.434 4

Activity (Go SEA)

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