UCSF

ZINC37045362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.75 4.54 -67.91 2 7 0 100 316.379 9
Hi High (pH 8-9.5) 0.75 2.11 -103.96 0 7 -2 101 314.363 9
Mid Mid (pH 6-8) 0.75 4.58 -110.61 1 7 -1 102 315.371 9

Activity (Go SEA)

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