UCSF

ZINC54111583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 18 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) 1.50 2.27 -44.29 4 5 1 77 292.812 6
Hi High (pH 8-9.5) 1.50 -0.04 -8.11 3 5 0 75 291.804 6

Activity (Go SEA)

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