UCSF

ZINC07605531

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 26 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) 2.45 6.99 -16.58 2 8 0 105 359.382 5
Hi High (pH 8-9.5) 2.64 4.59 -57.25 1 8 -1 111 358.374 5

Activity (Go SEA)

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