UCSF

ZINC36926653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 10 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) -1.66 2.19 -36.34 2 4 0 66 147.174 6
Hi High (pH 8-9.5) -1.66 0.84 -43.66 1 4 -1 61 146.166 6

Activity (Go SEA)

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