UCSF

ZINC37033463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.65 -1.17 -42.22 4 6 1 92 231.272 4
Hi High (pH 8-9.5) -0.46 -3.28 -33.19 3 6 0 99 230.264 4

Activity (Go SEA)

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