UCSF

ZINC38442896

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 24 No

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) 2.23 1.98 -21.39 3 7 0 105 348.38 6
Hi High (pH 8-9.5) 2.23 3.21 -109.74 1 7 -2 110 346.364 6
Mid Mid (pH 6-8) 2.23 1.99 -60.4 2 7 -1 107 347.372 6

Activity (Go SEA)

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