UCSF

ZINC34820375

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 34 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) 5.48 12.7 -64 1 7 -1 100 460.485 5
Hi High (pH 8-9.5) 5.94 11.53 -122.76 0 7 -2 103 459.477 5

Activity (Go SEA)

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