UCSF

ZINC20873639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 5.11 12.38 -43.77 2 2 1 26 336.43 7
Hi High (pH 8-9.5) 5.11 10.96 -4.88 1 2 0 21 335.422 7

Activity (Go SEA)

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