UCSF

ZINC03566072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 19 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) 2.66 -4.23 -9.15 1 5 0 68 298.751 4
Hi High (pH 8-9.5) 2.66 -3.67 -39.41 0 5 -1 70 297.743 4

Activity (Go SEA)

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