UCSF

ZINC34953936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 4.54 11.86 -59.01 0 5 -1 74 420.872 5
Lo Low (pH 4.5-6) 4.54 10.98 -12.6 1 5 0 71 421.88 5

Activity (Go SEA)

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