UCSF

ZINC34984647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 4.80 12.4 -15.05 1 6 0 62 480.612 6
Lo Low (pH 4.5-6) 4.80 14.82 -48.86 2 6 1 63 481.62 6

Activity (Go SEA)

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