UCSF

ZINC34820331

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 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) 4.29 12.03 -48.77 1 7 -1 100 416.457 7
Hi High (pH 8-9.5) 4.75 10.84 -120.06 0 7 -2 103 415.449 7

Activity (Go SEA)

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