UCSF

ZINC34678774

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 No

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) 5.77 16.42 -55.47 1 6 1 71 444.555 7
Hi High (pH 8-9.5) 5.77 14.17 -12.58 0 6 0 69 443.547 7

Activity (Go SEA)

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