UCSF

ZINC36754380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) -1.53 -1.71 -48.91 4 6 1 80 227.288 3
Lo Low (pH 4.5-6) -1.53 0.52 -107.66 5 6 2 81 228.296 3

Activity (Go SEA)

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