UCSF

ZINC35054489

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 1.47 4.19 -38.57 2 4 1 42 263.39 6
Hi High (pH 8-9.5) 1.47 1.71 -8.86 1 4 0 41 262.382 6
Mid Mid (pH 6-8) 1.47 3.09 -41.02 2 4 1 46 263.39 6
Lo Low (pH 4.5-6) 1.47 5.56 -111.98 3 4 2 47 264.398 6

Activity (Go SEA)

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