UCSF

ZINC43252527

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.35 7.92 -35.86 3 2 1 30 315.915 6
Mid Mid (pH 6-8) 3.35 6.35 -41.28 3 2 1 31 315.915 6
Mid Mid (pH 6-8) 3.35 8.35 -124.62 4 2 2 32 316.923 6

Activity (Go SEA)

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