UCSF

ZINC01135713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 23 Yes

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) 3.36 -1.41 -13.93 0 5 0 60 385.246 2
Lo Low (pH 4.5-6) 3.36 -1.31 -48.43 1 5 1 61 386.254 2

Activity (Go SEA)

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