UCSF

ZINC39258812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 10 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) 0.16 3.57 -36.65 3 3 1 45 140.21 4
Mid Mid (pH 6-8) 0.16 3.55 -44.11 3 3 1 45 140.21 4
Lo Low (pH 4.5-6) 0.16 4.04 -93.33 4 3 2 47 141.218 4

Activity (Go SEA)

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