UCSF

ZINC01002882

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 19 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) 3.14 2.82 -10.35 3 4 0 78 258.273 4
Hi High (pH 8-9.5) 3.14 3.54 -39.16 2 4 -1 81 257.265 4

Activity (Go SEA)

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