UCSF

ZINC24834911

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 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) 4.41 13.09 -57.12 2 6 1 55 470.519 7
Hi High (pH 8-9.5) 4.41 10.86 -15.22 1 6 0 53 469.511 7

Activity (Go SEA)

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