UCSF

ZINC20503719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 26 No

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) 2.46 7.31 -27.67 1 6 0 74 354.406 4
Hi High (pH 8-9.5) 2.46 4.99 -45.68 0 6 -1 73 353.398 4
Mid Mid (pH 6-8) 2.46 6.51 -43.63 2 6 1 71 355.414 4
Mid Mid (pH 6-8) 2.46 7.3 -54.65 1 6 0 74 354.406 4
Mid Mid (pH 6-8) 2.46 4.21 -14.35 1 6 0 70 354.406 4
Lo Low (pH 4.5-6) 2.46 6.52 -41.25 2 6 1 71 355.414 4

Activity (Go SEA)

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