UCSF

ZINC33893566

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 36 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) 2.05 6.78 -36.02 4 14 1 169 500.54 9
Hi High (pH 8-9.5) 2.05 4.53 -13.04 3 14 0 168 499.532 9

Activity (Go SEA)

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