UCSF

ZINC19842210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 3.59 8.19 -34.43 1 4 1 26 333.496 5
Hi High (pH 8-9.5) 3.59 5.94 -4.64 0 4 0 25 332.488 5
Mid Mid (pH 6-8) 3.59 8.27 -32.56 1 4 1 26 333.496 5

Activity (Go SEA)

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