UCSF

ZINC03898023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 19 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) 3.19 -4.39 -8.49 3 4 0 72 296.779 3
Hi High (pH 8-9.5) 3.19 -3.91 -36.66 2 4 -1 74 295.771 3

Activity (Go SEA)

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