UCSF

ZINC19262276

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 0.28 5.45 -34.01 3 3 1 34 262.421 4
Hi High (pH 8-9.5) 0.28 6.16 -34.44 3 3 1 34 262.421 4
Lo Low (pH 4.5-6) 0.28 7.93 -103.24 4 3 2 35 263.429 4

Activity (Go SEA)

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