UCSF

ZINC13850519

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 17 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) 0.83 1.06 -16.65 2 5 0 75 256.327 5
Hi High (pH 8-9.5) 0.83 1.13 -49.31 1 5 -1 77 255.319 5

Activity (Go SEA)

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