UCSF

ZINC16677215

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 33 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) 0.63 1.05 -24.47 1 10 0 126 494.595 7
Lo Low (pH 4.5-6) 0.63 2.28 -59.81 2 10 1 127 495.603 7
Lo Low (pH 4.5-6) 0.63 1.56 -54.52 2 10 1 127 495.603 7

Activity (Go SEA)

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