UCSF

ZINC20368029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 5.27 9.63 -21.47 2 7 0 99 487.581 8
Hi High (pH 8-9.5) 5.27 10.42 -60.89 1 7 -1 102 486.573 8

Activity (Go SEA)

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