UCSF

ZINC41287623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 1.39 6.73 -18.22 1 5 0 59 280.331 4
Mid Mid (pH 6-8) 1.39 7.02 -32.83 2 5 1 61 281.339 4
Lo Low (pH 4.5-6) 1.39 7.49 -78.09 3 5 2 62 282.347 4

Activity (Go SEA)

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