UCSF

ZINC43251701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.52 6.3 -44.21 3 2 1 31 287.88 4
Hi High (pH 8-9.5) 3.52 6.03 -1.87 2 2 0 29 286.872 4
Mid Mid (pH 6-8) 3.52 7.7 -31.72 3 2 1 30 287.88 4
Mid Mid (pH 6-8) 3.52 8.02 -118.56 4 2 2 32 288.888 4

Activity (Go SEA)

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