UCSF

ZINC37870093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 0.57 3.27 -35.05 4 4 1 60 226.344 4
Hi High (pH 8-9.5) 0.57 0.93 -7.84 3 4 0 58 225.336 4
Lo Low (pH 4.5-6) 0.57 3.17 -102.8 5 4 2 64 227.352 4

Activity (Go SEA)

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