UCSF

ZINC05562706

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 28 No

Download: MOL2 SDF SMILES Flexibase

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) 2.11 3.99 -15.34 4 7 0 117 371.4 3
Ref Reference (pH 7) 2.11 3.38 -15.05 4 7 0 117 371.4 3
Lo Low (pH 4.5-6) 2.11 4.21 -62.96 5 7 1 118 372.408 3

Activity (Go SEA)

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