UCSF

ZINC15935979

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.57 6.84 -25.58 2 7 0 87 379.873 4
Hi High (pH 8-9.5) 2.75 5.14 -58.87 1 7 -1 94 378.865 4

Activity (Go SEA)

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