UCSF

ZINC69238697

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 3.89 10.58 -33.14 1 2 1 22 260.401 6
Hi High (pH 8-9.5) 3.89 8.58 -6.93 0 2 0 20 259.393 6

Activity (Go SEA)

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