UCSF

ZINC13071838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 27 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) 3.84 6.34 -12.19 2 5 0 75 400.422 7
Hi High (pH 8-9.5) 3.84 6.39 -49.53 1 5 -1 77 399.414 7

Activity (Go SEA)

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