UCSF

ZINC42247086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 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) 3.23 6.76 -32.11 2 3 1 28 291.459 5
Hi High (pH 8-9.5) 3.23 4.55 -3.57 1 3 0 27 290.451 5

Activity (Go SEA)

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