UCSF

ZINC41536977

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 2.85 8.96 -44.63 1 4 -1 69 314.336 4
Lo Low (pH 4.5-6) 2.85 7.29 -14.01 2 4 0 66 315.344 4

Activity (Go SEA)

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