UCSF

ZINC36791396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.09 6.81 -38.71 2 4 1 38 239.387 6
Hi High (pH 8-9.5) 2.09 5.38 -4.44 1 4 0 33 238.379 6
Lo Low (pH 4.5-6) 2.09 6.94 -91.7 3 4 2 39 240.395 6

Activity (Go SEA)

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