UCSF

ZINC26288187

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 28 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) -0.13 8.82 -101.27 1 7 0 79 389.427 5
Hi High (pH 8-9.5) -0.13 6.2 -68.46 0 7 -1 78 388.419 5
Mid Mid (pH 6-8) -2.88 7.86 -70.45 2 7 1 82 390.435 4

Activity (Go SEA)

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