UCSF

ZINC11843683

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 32 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) 4.14 12.09 -54.92 2 6 1 61 434.539 7
Hi High (pH 8-9.5) 4.14 10.98 -14.12 1 6 0 57 433.531 7

Activity (Go SEA)

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