UCSF

ZINC19904913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 2.80 4.09 -26.81 2 3 0 49 264.152 5
Hi High (pH 8-9.5) 2.80 2 -4.22 2 3 0 41 264.152 5
Mid Mid (pH 6-8) 2.80 3.43 -36.96 3 3 1 46 265.16 5

Activity (Go SEA)

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