UCSF

ZINC37085273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.86 4.47 -38.07 2 4 1 46 243.371 5
Hi High (pH 8-9.5) 1.86 5.7 -35.1 2 4 1 43 243.371 5
Lo Low (pH 4.5-6) 1.86 6.65 -100.19 3 4 2 47 244.379 5

Activity (Go SEA)

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