UCSF

ZINC19637370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 2.66 7.46 -39.3 1 2 1 8 239.358 7
Hi High (pH 8-9.5) 2.66 5.31 -2.91 0 2 0 6 238.35 7
Mid Mid (pH 6-8) 2.66 7.36 -35.72 1 2 1 8 239.358 7
Lo Low (pH 4.5-6) 2.66 9.76 -113.76 2 2 2 9 240.366 7

Activity (Go SEA)

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