UCSF

ZINC34924714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 0.98 2.34 -48.32 2 4 -1 79 205.115 2
Lo Low (pH 4.5-6) 0.98 2.71 -45.44 3 4 0 80 206.123 2

Activity (Go SEA)

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