UCSF

ZINC53650269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 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) 2.16 8.6 -111.87 3 2 2 21 212.381 6
Hi High (pH 8-9.5) 2.16 7.4 -28.98 2 2 1 16 211.373 6
Mid Mid (pH 6-8) 2.16 6.78 -34.09 2 2 1 20 211.373 6

Activity (Go SEA)

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