UCSF

ZINC34686707

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 2.26 10.25 -25.76 1 6 0 72 433.483 6
Lo Low (pH 4.5-6) 2.26 10.66 -59.38 2 6 1 73 434.491 6

Activity (Go SEA)

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