UCSF

ZINC67786309

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 19 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) 2.20 7.53 -15.79 1 4 0 49 259.353 4
Lo Low (pH 4.5-6) 2.20 7.97 -36.36 2 4 1 50 260.361 4

Activity (Go SEA)

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