UCSF

ZINC34553583

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) -1.56 4.51 -118.13 6 10 -1 190 377.377 11
Lo Low (pH 4.5-6) -1.56 2.54 -73.86 7 10 0 187 378.385 11

Activity (Go SEA)

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