UCSF

ZINC28894678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 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) 0.95 0.62 -56.22 9 8 1 152 471.622 11
Hi High (pH 8-9.5) 0.95 0.4 -24.93 8 8 0 151 470.614 11

Activity (Go SEA)

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