UCSF

ZINC21784088

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 3.36 4.83 -18.09 4 7 0 115 429.885 4
Hi High (pH 8-9.5) 3.82 3.71 -45.14 3 7 -1 118 428.877 4

Activity (Go SEA)

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