UCSF

ZINC35153635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 32 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) 4.57 12.78 -31.93 1 6 0 75 462.962 4
Hi High (pH 8-9.5) 4.76 10 -67.77 0 6 -1 82 461.954 4

Activity (Go SEA)

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