UCSF

ZINC36874161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.28 6.08 -38.44 3 4 1 55 258.345 4
Hi High (pH 8-9.5) 2.28 4.44 -7.67 2 4 0 50 257.337 4
Lo Low (pH 4.5-6) 2.28 6.51 -110.28 4 4 2 56 259.353 4

Activity (Go SEA)

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