UCSF

ZINC36949163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 13 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) 0.25 3.09 -96.6 4 3 2 41 186.299 5
Hi High (pH 8-9.5) 0.25 3.62 -38.44 3 3 1 44 185.291 5
Hi High (pH 8-9.5) 0.25 1.74 -33.17 3 3 1 37 185.291 5

Activity (Go SEA)

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