UCSF

ZINC20518422

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) 1.53 5.98 -27.16 1 6 0 74 351.406 3
Hi High (pH 8-9.5) 1.53 3.64 -41.22 0 6 -1 73 350.398 3
Mid Mid (pH 6-8) 1.53 5.31 -44.2 2 6 1 71 352.414 3
Mid Mid (pH 6-8) 1.53 6.11 -52.74 1 6 0 74 351.406 3
Mid Mid (pH 6-8) 1.53 2.85 -12.94 1 6 0 70 351.406 3
Lo Low (pH 4.5-6) 1.53 5.19 -44.22 2 6 1 71 352.414 3
Lo Low (pH 4.5-6) 1.53 5.64 -98 3 6 2 72 353.422 3
Lo Low (pH 4.5-6) 1.53 5.69 -99.65 3 6 2 72 353.422 3

Activity (Go SEA)

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