UCSF

ZINC43262763

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) 2.81 2.71 -44.91 4 3 1 51 350.346 8
Hi High (pH 8-9.5) 2.81 2.66 -2.64 3 3 0 49 349.338 8
Mid Mid (pH 6-8) 2.81 4.21 -31.89 4 3 1 51 350.346 8
Mid Mid (pH 6-8) 2.81 4.52 -118.14 5 3 2 52 351.354 8

Activity (Go SEA)

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