UCSF

ZINC44121032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 3.19 5.76 -32.04 2 3 1 28 297.507 4
Hi High (pH 8-9.5) 3.19 5.84 -34.83 2 3 1 28 297.507 4
Lo Low (pH 4.5-6) 3.19 8.15 -94.58 3 3 2 29 298.515 4

Activity (Go SEA)

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