UCSF

ZINC36193500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.35 2.81 -6.64 3 4 0 58 245.326 1
Mid Mid (pH 6-8) -0.35 3.46 -39.18 4 4 1 60 246.334 1
Mid Mid (pH 6-8) -0.35 3.13 -43.89 4 4 1 60 246.334 1
Lo Low (pH 4.5-6) -0.35 3.78 -100.27 5 4 2 61 247.342 1

Activity (Go SEA)

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