UCSF

ZINC35046554

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.28 5.86 -44.18 2 3 1 29 328.274 6
Hi High (pH 8-9.5) 3.28 4.74 -3.48 1 3 0 24 327.266 6
Mid Mid (pH 6-8) 3.28 8.31 -123.5 3 3 2 30 329.282 6
Mid Mid (pH 6-8) 3.28 7.2 -36.6 2 3 1 26 328.274 6

Activity (Go SEA)

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