UCSF

ZINC37047742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.30 0.46 -183.5 0 8 -3 137 333.367 7
Hi High (pH 8-9.5) 0.30 0.39 -106.2 1 8 -2 135 334.375 7
Hi High (pH 8-9.5) 0.30 0.28 -99.47 1 8 -2 135 334.375 7

Activity (Go SEA)

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