UCSF

ZINC37233125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 1.83 8.93 -86.3 3 5 2 49 292.427 7
Hi High (pH 8-9.5) 1.83 6.23 -8.66 1 5 0 46 290.411 7
Mid Mid (pH 6-8) 1.83 8.43 -35.06 2 5 1 47 291.419 7

Activity (Go SEA)

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