UCSF

ZINC36449283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 12 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) 2.96 7.07 -2.92 0 1 0 3 228.133 3
Lo Low (pH 4.5-6) 2.96 7.83 -15.42 1 1 0 4 229.141 3

Activity (Go SEA)

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