UCSF

ZINC03944467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 31 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) 1.09 -11.98 -22.25 5 10 0 167 459.509 5
Hi High (pH 8-9.5) 1.09 -11.41 -49.54 4 10 -1 169 458.501 5

Activity (Go SEA)

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