UCSF

ZINC34954427

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 7.11 15.53 -56.66 0 5 -1 73 499.587 5
Lo Low (pH 4.5-6) 7.11 14.64 -11.05 1 5 0 71 500.595 5

Activity (Go SEA)

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