UCSF

ZINC41455205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 24 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) 1.53 5.7 -11.2 1 6 0 69 322.368 5
Lo Low (pH 4.5-6) 1.53 6.17 -40.61 2 6 1 70 323.376 5

Activity (Go SEA)

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