UCSF

ZINC33934858

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 5.64 13.02 -10.19 1 4 0 47 415.924 6
Lo Low (pH 4.5-6) 5.64 13.7 -34.58 2 4 1 48 416.932 6

Activity (Go SEA)

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