UCSF

ZINC34953075

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 No

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) 5.69 15 -69.29 1 5 0 65 462.634 9
Lo Low (pH 4.5-6) 5.69 14.18 -43.06 2 5 1 62 463.642 9

Activity (Go SEA)

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