UCSF

ZINC21800077

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 2.06 5.65 -18.73 1 6 0 63 324.384 3
Mid Mid (pH 6-8) 2.06 7.84 -52.74 2 6 1 65 325.392 3
Mid Mid (pH 6-8) 2.06 6.06 -30.43 2 6 1 65 325.392 3
Lo Low (pH 4.5-6) 2.06 8.25 -105.18 3 6 2 66 326.4 3

Activity (Go SEA)

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