UCSF

ZINC34984169

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) 5.66 13.62 -15.43 2 7 0 81 482.441 6
Lo Low (pH 4.5-6) 5.66 14.15 -77.13 4 7 2 83 484.457 6
Lo Low (pH 4.5-6) 5.66 14.01 -76.09 4 7 2 83 484.457 6

Activity (Go SEA)

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