UCSF

ZINC37795396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.79 2.36 -57.41 2 7 -1 115 315.302 5
Mid Mid (pH 6-8) 0.79 2.5 -110.82 1 7 -2 117 314.294 5
Lo Low (pH 4.5-6) 0.79 0.92 -56.81 2 7 -1 115 315.302 5
Lo Low (pH 4.5-6) 0.79 0.25 -19.13 3 7 0 113 316.31 5

Activity (Go SEA)

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