UCSF

ZINC12422099

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 25 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) 1.98 -2.99 -14.18 1 6 0 84 358.419 5
Hi High (pH 8-9.5) 1.98 -2.41 -49.75 0 6 -1 86 357.411 5

Activity (Go SEA)

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