UCSF

ZINC00330713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 20 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) 3.14 8.6 -42.26 1 3 1 23 276.4 2
Hi High (pH 8-9.5) 3.14 6.39 -5.79 0 3 0 22 275.392 2

Activity (Go SEA)

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