UCSF

ZINC00214727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 23 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) 4.04 11.7 -114.11 3 2 2 21 314.448 5
Hi High (pH 8-9.5) 4.04 10.68 -37.98 2 2 1 16 313.44 5

Activity (Go SEA)

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