UCSF

ZINC33623619

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 34 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) 4.54 10.26 -24.95 1 8 0 94 482.606 11
Hi High (pH 8-9.5) 4.73 9.18 -55.45 0 8 -1 100 481.598 11

Activity (Go SEA)

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