UCSF

ZINC21813045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 0.95 2.52 -37.77 6 6 1 103 307.399 5
Hi High (pH 8-9.5) 0.95 0.37 -26.64 5 6 0 101 306.391 5

Activity (Go SEA)

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