UCSF

ZINC00883907

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 26 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) 3.04 7.82 -30.66 3 6 1 69 354.43 6
Hi High (pH 8-9.5) 3.04 7.44 -14.33 2 6 0 68 353.422 6

Activity (Go SEA)

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