UCSF

ZINC69802770

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) -1.64 3.33 -69.11 2 6 0 80 203.242 5
Hi High (pH 8-9.5) -1.64 1.9 -54.3 1 6 -1 76 202.234 5

Activity (Go SEA)

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