UCSF

ZINC39978036

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 28 No

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) 4.67 9 -21.33 2 7 0 97 378.384 7
Hi High (pH 8-9.5) 4.67 9.99 -72.34 1 7 -1 100 377.376 7

Activity (Go SEA)

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