UCSF

ZINC24865461

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 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) 4.56 11.78 -23.63 1 6 0 69 440.475 7
Hi High (pH 8-9.5) 4.63 10.87 -55.65 0 6 -1 75 439.467 7

Activity (Go SEA)

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