UCSF

ZINC19789505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 21 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) 2.33 7.09 -38.46 1 4 1 26 293.431 6
Hi High (pH 8-9.5) 2.33 4.81 -5.84 0 4 0 25 292.423 6
Mid Mid (pH 6-8) 2.33 7.14 -41.18 1 4 1 26 293.431 6

Activity (Go SEA)

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