UCSF

ZINC11954460

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2008 22 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) 1.74 6.87 -33.25 3 4 1 57 303.426 6
Hi High (pH 8-9.5) 1.74 5.47 -6.17 2 4 0 53 302.418 6

Activity (Go SEA)

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