UCSF

ZINC44272509

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 No

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) 0.23 4.5 -50.85 4 8 1 118 269.281 6
Hi High (pH 8-9.5) 0.23 2 -15.94 3 8 0 117 268.273 6

Activity (Go SEA)

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