UCSF

ZINC42460324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 0.63 2.57 -37.91 2 3 1 29 187.307 8
Hi High (pH 8-9.5) 0.63 1.21 -2.42 1 3 0 24 186.299 8
Lo Low (pH 4.5-6) 0.63 4.92 -108.39 3 3 2 30 188.315 8

Activity (Go SEA)

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