UCSF

ZINC29554277

Substance Information

In ZINC since Heavy atoms Benign functionality
March 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) 3.60 7.03 -59.83 4 7 1 106 462.522 11
Hi High (pH 8-9.5) 3.60 5.51 -14.31 3 7 0 101 461.514 11

Activity (Go SEA)

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