UCSF

ZINC35723763

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 29 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) 6.23 10.93 -12.63 2 6 0 84 481.46 11
Hi High (pH 8-9.5) 6.42 9.26 -40.85 1 6 -1 90 480.452 11

Activity (Go SEA)

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