UCSF

ZINC25394507

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 35 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) 3.92 5.12 -18.75 4 9 0 126 496.589 9
Hi High (pH 8-9.5) 3.92 5.17 -50.85 3 9 -1 128 495.581 9

Activity (Go SEA)

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