UCSF

ZINC20906388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 1.86 4.84 -41.52 1 6 1 59 304.418 9
Hi High (pH 8-9.5) 1.86 3.02 -8.8 0 6 0 58 303.41 9
Mid Mid (pH 6-8) 1.86 6.92 -117.73 2 6 2 61 305.426 9
Lo Low (pH 4.5-6) 1.86 7.46 -174.91 3 6 3 62 306.434 9

Activity (Go SEA)

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