UCSF

ZINC33748586

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 2.42 10.8 -25.77 1 8 0 93 502.596 5
Hi High (pH 8-9.5) 2.42 11.23 -81.93 0 8 -1 95 501.588 5

Activity (Go SEA)

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