UCSF

ZINC21540840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 20 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) -0.23 1.59 -42.16 2 7 1 72 283.352 6
Hi High (pH 8-9.5) -0.23 -0.95 -8.62 1 7 0 71 282.344 6
Mid Mid (pH 6-8) -0.23 3.94 -91.41 3 7 2 73 284.36 6

Activity (Go SEA)

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