UCSF

ZINC37823653

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -1.30 0.44 -44.41 4 6 1 80 273.382 3
Hi High (pH 8-9.5) -1.30 -1.18 -13.31 3 6 0 79 272.374 3
Mid Mid (pH 6-8) -1.30 1.56 -96.37 5 6 2 84 274.39 3

Activity (Go SEA)

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