UCSF

ZINC19838963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 4.69 8.41 -15.14 1 3 0 41 281.355 1
Hi High (pH 8-9.5) 4.69 9.13 -57.86 0 3 -1 43 280.347 1

Activity (Go SEA)

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