UCSF

ZINC20265328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 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) 4.53 12.13 -68.44 1 7 0 83 480.605 13
Hi High (pH 8-9.5) 4.53 9.93 -58.43 0 7 -1 82 479.597 13

Activity (Go SEA)

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