UCSF

ZINC62613203

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 30 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) -4.43 -0.36 -388.48 2 17 -4 264 488.135 8
Hi High (pH 8-9.5) -4.08 -2.41 -457.98 1 17 -5 267 487.127 8
Mid Mid (pH 6-8) -4.43 -1.51 -248.9 3 17 -3 261 489.143 8

Activity (Go SEA)

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