UCSF

ZINC34987267

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 3.24 11.69 -17.02 1 7 0 80 475.637 11
Lo Low (pH 4.5-6) 3.24 12.04 -50.25 2 7 1 81 476.645 11

Activity (Go SEA)

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