UCSF

ZINC35511595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 4.11 6.89 -11.73 2 8 0 90 471.311 6
Lo Low (pH 4.5-6) 4.11 7.13 -40.21 3 8 1 91 472.319 6

Activity (Go SEA)

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