UCSF

ZINC29253125

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 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) 2.59 7.18 -12.47 1 5 0 58 324.409 4
Hi High (pH 8-9.5) 2.65 6.29 -44.66 0 5 -1 64 323.401 4

Activity (Go SEA)

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