UCSF

ZINC34527005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 4.17 6.86 -13.69 2 6 0 85 414.458 6
Mid Mid (pH 6-8) 4.17 6.95 -52.43 1 6 -1 87 413.45 6

Activity (Go SEA)

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