UCSF

ZINC34826007

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) -3.75 -5.16 -33.4 5 6 0 117 193.199 7
Hi High (pH 8-9.5) -3.75 -6.31 -45.91 4 6 -1 113 192.191 7

Activity (Go SEA)

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